Handler

Download as pdf or txt
Download as pdf or txt
You are on page 1of 772

OECD SIDS HIGHER OLEFINS

FOREWORD INTRODUCTION

HIGHER OLEFINS - CATEGORY


CAS N°:
HEXENE: 25264-93-1
HEPTENE: 25339-56-4
OCTENE: 25377-83-7
NONENE: 27215-95-8
DECENE: 25339-53-1
DODECENE: 25378-22-7
ALKENES C10-13: 85535-87-1
1-HEXADECENE: 629-73-2
1-OCTADECENE: 112-88-9

UNEP PUBLICATIONS 1
OECD SIDS HIGHER OLEFINS

SIDS Initial Assessment Report


For
SIAM 19
Berlin, Germany, 19-21 October 2004

1. Chemical Name: Higher Olefins - Category

2. CAS Number: hexene 25264-93-1; heptene 25339-56-4; octene 25377-83-7;


nonene 27215-95-8; decene 25339-53-1;dodecene 25378-22-7;
alkenes, C10-13 85535-87-1; 1-hexadecene 629-73-2;
1-octadecene 112-88-9

3. Sponsor Country: United States of America


National SIDS Contact Point in Sponsor Country:
Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
1200 Pennsylvania Avenue, NW
Washington DC 20460
Phone: (202) 564-7461

4. Shared Partnership with: American Chemistry Council, Higher Olefins Panel


5. Roles/Responsibilities of
the Partners:
• Name of industry sponsor American Chemistry Council
/consortium Doug Anderson, Higher Olefins Panel
1300 Wilson Boulevard
Arlington, VA 22209
Phone: (703) 741-5616

• Process used Robust Summaries drafted by Higher Olefins Panel industry


toxicologists. Dossiers and SIAR drafted by M. Machado,
Toxicology Consultant, 361 Duperu Drive, Crockett, CA 94525.
Documents reviewed by industry toxicologists and the United
States Environmental Protection Agency.

6. Sponsorship History
• How was the chemical or The American Chemistry Council’s Higher Olefins Panel
category brought into the submitted a test plan and robust summaries for the Higher
OECD HPV Chemicals Olefins Category of chemicals to the U.S. Environmental
Programme? Protection Agency on 1 November 2001, under the International
Council of Chemical Associations (ICCA) Global Initiative on
High Production Volume (HPV) Chemicals Program.

2 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

7. Review Process Prior to The American Chemistry Council’s Higher Olefins Panel and the
the SIAM: United States Environmental Protection Agency (EPA)
performed the work and review process undertaken for this
category. Members of the Higher Olefins Panel conducted a
comprehensive literature search. After a review of existing data
three studies were proposed in the test plan, an OECD 422 on a
C6 internal and branched, an OECD 421 on a C18 internal, linear
and branched and an OECD 211 on 1-decene. Documents were
prepared and reviewed by industry toxicologists prior to
submission to sponsor country. The Sponsor country conducted
reviews of submitted data and offered comments to industry.
EPA submitted documents to OECD for consideration at SIAM
19

8. Quality check process: The quality of existing data was determined using guidance
provided in the Manual for Investigation of HPV Chemicals,
Chapter 3: Data Evaluation (OECD, 2002).

9. Date of Submission: 22-December 2003


10. Comments: The Higher Olefins Category uses supporting data from the
Alpha Olefins Category that was approved at SIAM 11.
Additional supporting data from the US HPV Challenge Program
was also used. The Higher Olefins panel included surrogate data
from a mixed stream containing C20-24 linear and branched
internal olefins in the SIAR. While the panel realizes that
sufficient data exist to support the category without the data on
the C20-24, we believe these data provide additional support and
strengthen the hypothesis that changing carbon number, location
of the double bond or addition of branching does not alter the
mammalian health and biodegradation endpoints and helps to
indicate increasing or decreasing trends for ecotoxicity data.

The Panel attempted to conduct the chronic daphnia toxicity


study (OECD 211) using 1-dodecene. However, due to analytical
limitations and the lab’s inability to detect the material in
solution, we were unable to generate a reproducible dose
response. Therefore, 1-decene was used as the test material for
the chronic aquatic toxicity test. Data indicate that chronic
aquatic toxicity can be observed in C10 olefins (EC10 = 20.0
ug/L, EC50 = 28.1 ug/L, NOEC = 19.04 ug/L. Chronic toxicity
is not expected for C14 and higher molecular weight alpha or
internal olefins, whose water solubility limits are less than the
NOEC for 1-decene. Although category members C14 or greater
have log Kow values >4.0 and are not rapidly biodegradable,
they are of low environmental hazard. They show no acute
aquatic effects at their limit of solubility, and, because they are
poorly soluble, are not expected to exhibit chronic effects below
the NOEC of 1-decene.

UNEP PUBLICATIONS 3
OECD SIDS HIGHER OLEFINS

SIDS INITIAL ASSESSMENT PROFILE

25264-93-1
25339-56-4
25377-83-7
27215-95-8
CAS Nos. 25339-53-1
25378-22-7
85535-87-1
629-73-2
112-88-9
[in the same order shown above for CAS Nos.]
hexene
heptene
octene
Chemical Names nonene
decene
dodecene
alkenes, C10-13
1-hexadecene
1-octadecene
[in the same order shown above for CAS Nos.]
CH3-CH=CH-(CH2)2-CH3a
CH3-CH=CH-(CH2)3-CH3a
CH3-CH=CH-(CH2)4-CH3a
CH3-CH=CH-(CH2)5-CH3a
Structural Formula CH3-CH=CH-(CH2)6-CH3a
CH3-CH=CH-(CH2)8-CH3a
CH3-CH=CH-(CH2)x-CH3a (x = 6-9)
CH3-(CH2)13-CH=CH3
CH3-(CH2)15-CH=CH3
a
Basic structure; position of internal double bond varies and some isomers may be
branched

SUMMARY CONCLUSIONS OF THE SIAR

Category/Analogue Rationale

This profile includes an evaluation of SIDS-level testing data, using a category approach, with six individual internal
olefins (C6 – C10 and C12), a C10 – 13 internal olefins blend and two linear alpha olefins (1-hexadecene and 1-
octadecene), all of which are mono-olefins. The internal olefins are predominantly linear, but may contain small
amounts of branched materials. For the purposes of the OECD HPV Chemicals Programme, the category was defined
as “Higher Olefins.” The category designation was based on the belief that internalizing the location of the carbon-
carbon double bond, increasing the length of the carbon chain, and/or changing the carbon skeleton’s structure from
linear to branched does not change the toxicity profile, or changes the profile in a consistent pattern from lower to
higher carbon numbers. While the category is actually defined as C6 – C18 mono-olefins (sponsored chemicals), we
included surrogate data from a mixed stream containing C20-C24 linear and branched internal olefins. While we realize
that sufficient data exist to support the category without the data on the C20-C24, we believe these data provide
additional support and strengthen the hypothesis that changing carbon number, location of the double bond or
addition of branching does not alter the mammalian health and biodegradation endpoints and helps to indicate
increasing or decreasing trends for ecotoxicity data.

4 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

Human Health

Olefins (alkenes) ranging in carbon number from C6 to C24, alpha (linear) and internal (linear and branched)
demonstrate low acute toxicity by the oral, inhalation and dermal routes of exposure: Rat oral LD50 >5 g/kg; rat 4-hr
inhalation LC50 range = 110 mg/L (32,000 ppm) to 6.4 mg/L (693 ppm) for C6 to C16; and rat/rabbit dermal LD50 >
highest doses tested (1.43 - 10 g/kg).

Repeated-dose studies, using the inhalation (C6 alpha), dermal (C12-C16), or oral (C6 alpha and internal
linear/branched; C8 and C14 alpha; and C16, C18 and C20-C24 internal linear/branched) routes of exposure, have shown
comparable levels of low toxicity in rats. In females, alterations in body and organ weights, changes in certain
clinical chemistry/hematology values, and liver effects were noted (NOELs of ≥ 100 mg/kg oral or ≥ 3.44 mg/L
(1000 ppm) inhalation). In males, alterations in organ weights, changes in certain clinical chemistry/hematology
values, liver effects, and male rat-specific kidney damage that is likely associated with the alpha 2 - globulin protein
were noted (LOELs ≥ 100 mg/kg oral only). The male rat kidney damage was seen in oral studies with C6, C8 and
C14 linear alpha olefins and C6 internal branched olefins, but was not seen in studies with C16/C18 or C20 - C24 internal
linear/branched olefins. The noted liver effects were seen in oral studies with C14 alpha olefins (minimal-to-mild
hepatocyte cytoplasmic vacuolation with increased liver weight in males and females) and with C20-C24 internal
olefins (minimal centrilobular hepatocyte hypertrophy with increased liver weight in females only). No effects were
present in the study with C20-C24 internal olefins following a 4-week recovery period, indicating reversibility of the
observed effects. These liver effects seen only with the larger molecules may be indirect effects of an intensified liver
burden, rather than a direct toxic effect of the olefin. Based on evidence from neurotoxicity screens included in
repeated dose studies with C6 and C14 alpha olefins and with C6 , C16/C18 and C20-C24 internal linear/branched olefins,
the category members are not neurotoxic.

Based on evidence from reproductive/developmental toxicity screens in rats with C6 and C14 alpha olefins and C6 and
C18 linear/branched internal olefins, along with the findings of no biologically significant effects on male or female
reproductive organs in repeated dose toxicity studies, the category members are not expected to cause reproductive or
developmental toxicity.

Based on the weight of evidence from studies with alpha and internal olefins, category members are not genotoxic.
No carcinogenicity tests have been conducted on C6 – C18 alpha or internal olefins; however, there are no structural
alerts indicating a potential for carcinogenicity in humans.

These materials are not eye irritants or skin sensitizers. Prolonged exposure of the skin for many hours may cause
skin irritation. The weight of evidence indicates alpha and internal olefins with carbon numbers between C6 and C24
have a similar and low level of mammalian toxicity, and the toxicity profile is not affected by changes in the location
of the double bond or the addition of branching to the structure.

Environment

The potential for exposure of aquatic organisms to members of the Higher Olefins Category will be influenced by
their physico-chemical properties. The predicted or measured water solubilities of these olefins range from 50 mg/L
at 20°C for hexene to 0.00015 mg/L at 25°C for 1-octadecene, which suggests there is a lower potential for the larger
olefins to be bioavailable to aquatic organisms due to their low solubilities. Their vapor pressures range from 230.6
hPa at 25°C for hexene to 0.00009 hPa at 25°C for 1-octadecene, which suggests the shorter chain olefins will tend
to partition to the air at a significant rate and not remain in the other environmental compartments for long periods
of time; while the longer chain olefins will tend to partition primarily to water, soil or sediment, depending on water
solubility and sorption behaviour. The soil adsorption coefficients (Koc) range from 149 for C6 to 230,800 for C18,
indicating increasing partitioning to soil/sediment with increasing carbon number. Level I fugacity modeling
predicts that the C6-C13 olefins would partition primarily to air, while the C16-C18 olefins would partition primarily to
soil. Results of Level III fugacity modelling suggest that the C6 – C8 category members will partition primarily to the
water compartment; and, as the chain length increases beyond C10, soil and sediment become the primary
compartments. These chemicals have a very low potential to hydrolyze and do not photodegrade directly. However,
in the air, all members of the category are subject to atmospheric oxidation from hydroxyl radical attack, with
calculated degradation half-lives of 1.8 to 4.1 hours. C6 – C18 olefins have been shown to degrade to an extent of
approximately 8-81% in standard 28-day biodegradation tests. These results were not clearly correlated with carbon
number or any other identifiable parameter; however, the weight of evidence shows that the members of the Higher
Olefins Category have potential for degradation in the environment. Volatilization from water is predicted to occur
rapidly (hours to days), with Henry’s Law Constants (bond method) ranging from 0.423 (C6) to 10.7 (C18) atm
m3/mol. Consideration of these degradation processes supports the assessment that these substances will degrade

UNEP PUBLICATIONS 5
OECD SIDS HIGHER OLEFINS

relatively rapidly in the environment and not persist. Based on calculated bioconcentration factors, the C6, C7, C16
and C18 category members are not expected to bioaccumulate (BCF = 46, 236, 71 and 3). Although the C8 – C13
olefins have BCFs ranging from 659 to 748, and Kow values ranging from 4.13 to 6.59, and thus are considered to
have the potential for bioaccumulation, their physico-chemical properties and fate indicate that there would be
limited environmental exposure because of volatility, biodegradability and limited solubility.

Data indicate that acute aquatic toxicity can be observed for C6 through the C10 olefins (C6: EC/LC50 range of 1-10
mg/L; C7-C10: EC/LC50 range of 0.1-1.0 mg/L), and that toxicity increases with increasing carbon number within that
range, which is consistent with increasing Kow values (3.07 – 5.07). Above a chain length of 10, toxicity is not
observed within the limits of solubility. However, data indicate that chronic aquatic toxicity can be observed in the
C10 olefins (EC10 = 20.0 µg/L, EC50 = 28.1 µg/L, NOEC = 19.04 µg/L). Data also suggest that aquatic toxicity does
not differ with bond location or presence of branching.

Exposure

The following U.S. production volumes for 2002 were reported for members of the Higher Olefins Category: 1-10
million pounds for hexene and dodecene, 10-50 million pounds for decene and C10-C13 alkenes, 50-100 million
pounds for heptene and octene, and 100-200 million pounds for 1-hexadecene and 1-octadecene. Members of the
Higher Olefins Category are produced commercially in closed systems and are used primarily as intermediates in the
production of other chemicals (including polymers, fatty acids, mercaptans, plasticizer alcohols, detergents,
surfactants, additives for lubricants, amine oxides and amines, detergent alcohols and nonionics, and hydraulic fluids
and additives). C16 and C18 olefins are blended with other chemicals for use as drilling fluids for off-shore oil
exploration. Non-occupational human exposure is not expected. Any occupational exposures that do occur are most
likely by the inhalation and dermal routes. Results from modeled data suggest that on-site waste treatment processes
are expected to remove these compounds from aqueous waste streams to the extent that they will not be readily
detectable in effluent discharge. The olefins will not persist in the environment because they can be rapidly degraded
through biotic and abiotic processes.

RECOMMENDATION AND RATIONALE FOR THE RECOMMENDATION AND


NATURE OF FURTHER WORK RECOMMENDED
The chemicals in this category are currently of low priority for further work. These chemicals possess properties
indicating hazards to human health (reversible mild skin and eye irritation; mild respiratory tract irritation to the
lower chain length members) and the environment (acute aquatic toxicity for the C6-C10 category members and
chronic aquatic toxicity for C10). Based on exposure data presented by the sponsor country, (four manufacturing
sites within the sponsor country which accounts for 47-64% of global production depending on category member)
and relating to use pattern in the sponsor country (industrial intermediate in closed systems) this category is a low
priority for further work. Countries may wish to investigate any exposure scenarios that were not presented by the
sponsor country.

6 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

SIDS Initial Assessment Report

1 IDENTITY

1.1 Identification of the Substance


The Higher Olefins Category consists of 9 members: C6, C7, C8, C9, C10, C12 and C10-13 internal
olefins and C16 and C18 linear alpha olefins. The internal olefins are predominantly linear, but may
contain a small amount of branched material as impurities. The members of the category are
presented in Table 1.
Table 1 Identity of members of the Higher Olefins Category
Chemical Name CAS Synonym Molecular Structural Formula
Number Formula

HEXENE 25264-93-1 Hexene, Isomers C6H12 CH3-CH=CH-(CH2)2-CH3a


Hexylene
Hexenes
HEPTENE 25339-56-4 Heptene, Isomers C7H14 CH3-CH=CH-(CH2)3-CH3a
Heptylene
Heptenes
OCTENE 25377-83-7 Octene, Isomers C8H16 CH3-CH=CH-(CH2)4-CH3a
Octylene
Octenes
NONENE 27215-95-8 Nonene C9H18 CH3-CH=CH-(CH2)5-CH3a
Propylene trimer
Tripropylene
DECENE 25339-53-1 Decene, Isomers C10H20 CH3-CH=CH-(CH2)6-CH3a
Decylene
Decenes
DODECENE 25378-22-7 Dodecene, Isomers C12H24 CH3-CH=CH-(CH2)8-CH3a
Dodecylene
Dodecenes
ALKENES, C10-13 85535-87-1 n-olefins C10-13 C10H20 CH3-CH=CH-(CH2)6-CH3a
C11H22 CH3-CH=CH-(CH2)7-CH3a
C12H24 CH3-CH=CH-(CH2)8-CH3a
C13H26 CH3-CH=CH-(CH2)9-CH3a
1-HEXADECENE 629-73-2 1-n-Hexadecene C16H32 CH3-(CH2)13-CH=CH3
Hexadecylene-1
alpha-Hexadecene
alpha-Hexadecylene
1-Cetene
Cetylene
1-OCTADECENE 112-88-9 1-n-Octadecene C18H36 CH3-(CH2)15-CH=CH3
Octadecylene-1
alpha-Octadecene
alpha-Octadecylene
n-Octadec-1-ene
a
Basic structure; position of internal double bond varies and some isomers may be branched

UNEP PUBLICATIONS 7
OECD SIDS HIGHER OLEFINS

1.2 Purity/Impurities/Additives
With the exception of decene, the C6-C12 internal olefins included in this category are usually
manufactured and marketed as components of predominantly linear alkene blends, with small
amounts of branched isomers, alpha olefins and/or alkanes of similar chain lengths as impurities.
The C6-C8 internal olefin blend has been reported as comprising 1.9% C5, 43.3% C6, 21.7% C7,
31.7% C8, 1.4% C9. Decene, when it is marketed as an individual alkene product, is predominantly
linear and has a purity of >94% with ≤5% C9 and lower olefins and ≤3% C11and higher olefins as
impurities. The C10-13 internal olefin blend typically contains <0.1% C9 or lower, 11.2% C10,
29.6% C11, 25.9% C12, 23.6% C13, 9.5% C14 and 0.1 % >C14; with 4.2% N-paraffins and 4.6%
dienes as impurities. Purities for 1-hexadecene have been reported by manufacturers as 92% and
80-98% with higher and lower chain length olefins as impurities. Purities for 1-octadecene have
been reported by manufacturers as 90.6%, >91% and 80-98%, with higher and lower chain length
olefins as impurities.

1.3 Physico-Chemical properties

Table 2 Summary of physico-chemical properties for members of the Higher Olefins


Categorya,b
Chemical Melting Boiling Point Vapour Pressure Density/ Partition Water
Name Point (0C) (0C) Relative Coefficient Solubility
Density (Log Kow) (mg/L)
HEXENE 65 at 1013 hPa 230.6 hPa at 25°C 0.68-0.69 3.07 (c) 50 at 20°C
HEXENE [hexene - mix (m and c) g/cm3 at (m)
of isomers] 20°C
-98 (m) 3.39 at
(m) [2-hexene] 25°C [1-
hexene]
66.4 – 68.8 (m)
[2-hexene,
3-hexene] (m)
HEPTENE -82.42 (c) 94.35 at 1013 74.66 hPa at 25°C ca. 700 k 3.64 (c) 13.45 at
hPa (c) (c) g/m3 at 3.99 25°C (c)
79.05 hPa at 25°C 20°C [1-heptene] 18.2 at
-119.7 °C
[1-heptene 93.6 at 1013 [1-heptene] (m) [C6 –C8 (m) 25°C [1-
] (m) hPa internal heptene]
[1-heptene] olefin] (m)
(m)
OCTENE -109 (m) 123 at 1013 22 hPa at 25°C 0.72 g/cm3 4.13 (c) 3.65 at
hPa (m) (c) at 20°C 25°C (c)
[2-octene] 4.57
23.2 hPa at 25°C [1-octene] 4.1 at 25°C
[1-octene] (m) (m) [1-octene]
(m)
NONENE -56.70 (c) 149.53 at 1013 5.00 hPa at 25°C 0.74 g/cm3 4.55 (c) 3.619 at
hPa (c) (m) at 20°C 25°C (c)
-81.3
[1-nonene) 135 – 140 at
(m) 1013 hPa (m)

8 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

Chemical Melting Boiling Point Vapour Pressure Density/ Partition Water


Name Point (0C) (0C) Relative Coefficient Solubility
Density (Log Kow) (mg/L)
DECENE -45.48 (c) 170 at 1013 1.33 hPa at 14.7°C 0.74 g/cm3 5.12 (c) 0.3288 at
hPa (m) (m) at 20°C 25°C (c)
-66.3 [1-
decene] 2.79 hPa at 25°C 5.7 [1- 0.57 at
(m) (c) decene] 25°C [1-
(m) decene],
2.23 hPa at 25°C
[1-decene] (m) 0.210 at
25°C [1-
decene]
(m)
DODECENE -35.2 (m) 213 .8 at 1013 0.356 hPa at 25°C 0.77 at 6.10 (c ) 0.1245 at
hPa (m) (c) 20°C 25°C (c )
0.212 hPa at 25°C (relative 0.113 [1-
[1-dodecene] (m) density) dodecene]
(c)
0.131 [2-
dodecene]
(c)
ALKENES, -45.5 170 2.79 [decene], 0.75 g/cm3 5.12 0.3288
C10-13 [decene] [decene](m), 0.9172 at 20°C [decene], [decene],
(c), -77 194 [undecene], 0.356 5.53 0.4006
[undecene] [undecene](m) [dodecene], [undecene] [undecene]
(m); -35.2 , 0.13999[tridecene , 6.10 , 0.1245
[dodecene] ] hPa at 25°C (c) [dodecene] [dodecene]
213.8
(m), , 6.59 , 0.03674
[dodecene](m)
-10.9 [tridecene] [tridecene]
, 2.23[1-decene],
[tridecene] (c) (c)
224 0.212 [1-
(c); dodecene], 0.0851
[tridecene](c);
-66.3 [1- [1-tridecene] hPa
decene] at 25°C (m)
(m), 233 [1-
tridecene] (m)
-13 [1-
tridecene] All at 1013.25
(m) hPa (m)

1-HEXA- 4.1 (m) 284.9 at 1013 0.00352 hPa at 0.79 at 8.06 (c) 0.00144 at
DECENE hPa (m) 25°C (m) 15.6/15.6° 25°C (c)
C (relative
density)

1-OCTA- 315 at 1013 0.00009 hPa at 0.79 at >8 (m ) 0.0001508


DECENE hPa (m) 25°C (m) 15.6/15.6° at 25°C (c
18.3 (m) 0.00085 – 0.0013 C 9.04 (c) )
hPa at 25 (c)* (relative
density)

a
Value is for category member unless otherwise noted.
b
Calculated (c), Measured (m) , *NOMO5 estimate using two measured values at higher temperature and
reduced boiling points

UNEP PUBLICATIONS 9
OECD SIDS HIGHER OLEFINS

The members of the category are colorless liquids. Vapor pressure and water solubility decrease
with increasing chain length, while melting point, boiling point, and octanol:water partition
coefficients increase with increasing chain length. The characteristic feature of the alkene structure
is the C=C double bond. The characteristic reactions of an alkene are those that take place at the
double bond, the most typical being an electrophilic addition reaction.

1.4 Category Rationale


Due to similarities of the six individual internal olefins (C6-C10 and C12), a C10-C13 internal olefins
blend and two linear alpha olefins (1-hexadecene and 1-octadecene), all of which are mono-olefins,
a category approach was utilized to determine the test plan for these compounds. The internal
olefins are predominantly linear, but may contain small amounts of branched materials. For the
purposes of the OECD HPV Chemicals Programme, the category was defined as “Higher Olefins.”
The category designation was based on the belief that, within the C6 to C18 boundaries identified,
internalising the location of the carbon-carbon double bond, increasing the length of the carbon
chain, and/or changing the carbon skeleton’s structure from linear to branched does not change the
toxicity profile, or changes the profile in a consistent pattern from lower to higher carbon numbers.
This expectation is supported by a large amount of existing data for alpha and internal olefins with
carbon numbers ranging from C6 to C24, including data from the OECD SIDS Alpha Olefins
Category (1-hexene, 1-decene, 1-dodecene, and 1-tetradecene), which was reviewed and approved
at SIAM 11. The category as defined is from C6 to C18 mono-olefins (sponsored chemicals) with
data from C20-C24 being used as supportive data. We included surrogate data from the mixed
stream containing C20-24 linear and branched internal olefins in the SIAR. While we realize that
sufficient data exist to support the category without the data on the C20-24, we believe these data
provide additional support and strengthen the hypothesis that changing carbon number, location of
the double bond or addition of branching does not alter the mammalian health and biodegradation
endpoints and helps to indicate increasing or decreasing trends for ecotoxicity data. The data
indicate an increasing or decreasing trend or pattern, from the shortest alpha or internal olefin in the
database (C6) to the longest alpha or internal olefin in the database (C30) for various physico-
chemical properties and ecotoxicity endpoints (using a mixture of experimental data and estimation
techniques), whereas there appears to be no critical difference across category members for
biodegradation and health endpoints. Therefore, the category approach is justified, and data for
linear alpha olefins and linear and branched internal olefins were used to characterize the human
and environmental health hazards for substances in the Higher Olefins Category. The data summary
matrix for members of the Higher Olefins Category is presented in Annex Table 3.

2 GENERAL INFORMATION ON EXPOSURE


This section provides available information on substances within the Higher Olefins Category
regarding production volume and use, environmental exposure and fate, and human exposure.

2.1 Production Volumes and Use Pattern


In1999, linear alpha olefins (C4-C30) (as provided by the reference does not delineate the C6-C18
linear olefins) global production was approximately 4.9 billion pounds (2.2 million metric tons)
with the United States accounting for almost 64% (SRI, 2000). In 2000, global production of
nonene was approximately 1,037 million pounds (470,000 metric tons) with the United States
accounting for almost 56%; and global production for dodecene was approximately 695 million
pounds (315,000 metric tons) with the United States accounting for 47% (SRI, 2001). There are

10 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

four manufacturing sites in the United States that produce at least one of the members of this
category.
Table 3 below, provides a range of U.S. production volumes by substance, provided by the
members of the American Chemistry Council’s Higher Olefins Panel.

Table 3 U.S. production volume for members of the Higher Olefins Category
COMPOUND CAS NUMBER 2002 U.S. PRODUCTION VOLUME
(Million Pounds)
Hexene (C6) 25264-93-1 1-10
Heptene (C7) 25339-56-4 50-100
Octene (C8) 25377-83-7 50-100
Nonene (C9) 27215-95-8 100-200
Decene (C10) 25339-53-1 10-50
Dodecene (C12) 25378-22-7 1-10
Alkenes, C10-C13 85535-87-1 10-50
1-hexadecene (C16) 629-73-2 100-200
1-octadecene (C18) 112-88-9 100-200

There are three main ethylene oligomerization processes currently in use. One process uses a single
stage for chain growth and displacement reactions, another uses two separate steps for chain growth
and displacement and a third uses a more complex process involving isomerization-
disproportionation. Members of the Higher Olefins Category are produced commercially in closed
systems and are used primarily as intermediates in the production of other chemicals (including
polymers, fatty acids, mercaptans, plasticizer alcohols, surfactants, additives for lubricants, amine
oxides and amines, detergent alcohols and nonionics, and hydraulic fluids and additives). C16 and
C18 olefins are blended with other chemicals for use as drilling fluids for off-shore oil exploration.
No other non-intermediate applications have been identified.Table 4 provides typical uses by chain
length (SRI, 2000; American Chemistry Council, Higher Olefins Panel, 2002).

Table 4 Typical uses of substances in the Higher Olefins Category


CHAIN APPLICATION
LENGTH
C4-C8 Intermediates in the production of polymers and polyethylene
C6-C8 Intermediates in the production of low-molecular weight fatty acids and
mercaptans
C6-C10 Intermediates in the production of plasticizer alcohols and surfactants
C10-C12 Intermediates in the production of polyalphaolefins and other additives for
lubricants, detergent alcohols, amine oxides and amines
C10-C16 Intermediates in the production of detergent alcohols and nonionics
C16-C18 Intermediates in the production of lube oil additives, surfactants, hydraulic fluids
and additives; direct components of drilling fluids for off-shore oil exploration

UNEP PUBLICATIONS 11
OECD SIDS HIGHER OLEFINS

2.2 Environmental Exposure and Fate

2.2.1 Sources of Environmental Exposure


The members of the Higher Olefins Category are produced commercially in closed systems and are
used primarily as intermediates in the production of other chemicals (including polymers). C16 and
C18 olefins are blended with other chemicals for use as drilling fluids for off-shore oil exploration.
Results from modelled data suggest that on-site waste treatment processes are expected to remove
these compounds from aqueous waste streams to the extent that they will not be readily detectable
in effluent discharge (EPIWIN, 2000a). None of the compounds within the category are on the US
Toxic Release Inventory (TRI) list (NLM, 2003a). The olefins will not persist in the environment
because they can be rapidly degraded through biotic and abiotic processes.

2.2.2 Photodegradation

2.2.2.1 Photodegradation – Direct Photolysis


Direct photochemical degradation occurs through the absorbance of solar radiation by a chemical
substance. If the absorbed energy is high enough, then the resultant excited state of the chemical
may undergo a transformation. The stratospheric ozone layer prevents UV light of less than 290 nm
from reaching the earth’s surface. Light at wavelengths longer than 750 nm does not contain
sufficient energy to break chemical bonds. Therefore, only light at wavelengths between 290 and
750 nm can result in photochemical transformations in the environment (Harris, 1982a). Olefins
with one double bond, such as members of this category, do not absorb appreciable light energy
above 290 nm (Harris, 1982a). Thus, direct photolysis will not significantly contribute to the
degradation of chemicals in the Higher Olefins Category.

2.2.2.2 Photodegradation – Indirect Photolysis (Atmospheric Oxidation)


Indirect photodegradation can be measured (US EPA, 1999a; OECD test guideline 113) or
estimated using models (US EPA, 1999b). An estimation method includes the calculation of
atmospheric oxidation potential (AOP). Atmospheric oxidation is a result of hydroxyl radical attack
and is not direct photochemical degradation, but rather indirect degradation. AOPs can be
calculated using a computer model. Hydrocarbons, such as the chemicals in this category, readily
volatilize to air. In air, chemicals may undergo reaction with photosensitized oxygen in the form of
ozone and hydroxyl radicals. The computer program AOPWIN (atmospheric oxidation program for
Microsoft Windows) (EPIWIN, 2000a) calculates a chemical half-life based on an overall hydroxyl
radical (OH) reaction rate constant, a 12-hr day, and a given OH concentration (average global
concentration of 1.5 × 106 OH/cm3). It also estimates the rate constant for the gas-phase reaction
between ozone and olefinic compounds. Estimated photodegradation hydroxyl radical and ozone
reaction rate constants for the substances in the category are in close agreement across the category.
In the air, all members of the category are subject to atmospheric oxidation from hydroxyl radical
attack, with calculated degradation half-lives of 1.8 to 4.1 hours (see Annex, Table 1), which
suggests that, once volatilized to the air, these chemicals will degrade rapidly.

2.2.3 Stability in Water


Hydrolysis of an organic molecule occurs when a molecule (R-X) reacts with water (H2O) to form a
new carbon-oxygen bond after the carbon-X bond is cleaved (Gould, 1959; Harris, 1982b).

12 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

Mechanistically, this reaction is referred to as a nucleophilic substitution reaction, where X is the


leaving group being replaced by the incoming nucleophilic oxygen from the water molecule.
The leaving group, X, must be a molecule other than carbon because for hydrolysis to occur, the R-
X bond cannot be a carbon-carbon bond. The carbon atom lacks sufficient electronegativity to be a
good leaving group and carbon-carbon bonds are too stable (high bond energy) to be cleaved by
nucleophilic substitution. Thus, hydrocarbons, including alkenes, are not subject to hydrolysis
(Harris, 1982b) and this fate process will not contribute to the degradative loss of chemical
components in this category from the environment.
Under strongly acidic conditions, the carbon-carbon double bond found in alkenes, such as those in
the Higher Olefins Category, will react with water by an addition reaction mechanism (Gould,
1959). The reaction product is an alcohol. This reaction is not considered to be hydrolysis because
the carbon-carbon linkage is not cleaved and because the reaction is freely reversible (Harris,
1982b). Substances that have a potential to hydrolyze include alkyl halides, amides, carbamates,
carboxylic acid esters and lactones, epoxides, phosphate esters, and sulfonic acid esters (Neely,
1985).
The substances in the Higher Olefins Category are primarily olefins that contain one double bond
(alkenes). Small amounts of saturated hydrocarbons (alkanes) are found in category members, as
impurities. These two groups of chemicals contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic mechanism discussed above. Therefore,
chemicals in the Higher Olefins Category have a very low potential to hydrolyse, and this
degradative process will not contribute to their removal in the environment.

2.2.4 Transport between Environmental Compartments

The vapour pressures of the members of the Higher Olefins Category range from 230.6 hPa at 25°C
for hexene to 0.00009 hPa at 25°C for 1-octadecene, which suggests the shorter chain olefins will
tend to partition to the air at a significant rate and not remain in the other environmental
compartments for long periods of time; while the longer chain olefins will tend to partition
primarily to water, soil or sediment, depending on water solubility and sorption behavior.
Volatilization from water is predicted to occur rapidly (hours to days), with Henry’s Law Constants
(bond method) ranging from 0.423 (C6) to 10.7 (C18) atm m3/mol. The soil adsorption coefficients
(Koc) range from 149 for C6 to 230,800 for C18, indicating increasing partitioning to soil/sediment
with increasing carbon number.
Fugacity based multimedia modelling can provide basic information on the relative distribution of
chemicals between selected environmental compartments (i.e., air, soil, sediment, suspended
sediment, water, biota). Widely used fugacity models are the EQC (Equilibrium Criterion) Level I
model (Mackay et al., 1996b; Trent University, 2004) and the Mackay Level III fugacity model
(Mackay, 1991; Mackay et al., 1996a, 1996b; Trent University, 2004).
The input data required to run a Level I model include basic physico-chemical parameters;
distribution is calculated as percent of chemical partitioned to 6 compartments (air, soil, water,
suspended sediment, sediment, biota) within a unit world. Level I data are basic partitioning data
that allow for comparisons between chemicals and indicate the compartment(s) to which a chemical
is likely to partition. The EQC Level I is a steady state, equilibrium model that utilizes the input of
basic chemical properties including molecular weight, vapour pressure, and water solubility to
calculate distribution within a standardized regional environment. This model (Trent University,
2004) was used, with input values taken from Table 2, to calculate distribution values for
substances in the Higher Olefins Category. Results from Level I modelling are shown in Annex,

UNEP PUBLICATIONS 13
OECD SIDS HIGHER OLEFINS

Table 1. Level I modelling predicts that the C6-C13 olefins would partition primarily to air, while the
C16-C18 olefins would partition primarily to soil.
A Level III fugacity model (Trent University, 2004) was also used to calculate distribution values
for the members of the Higher Olefins Category. A Level III fugacity model calculates the
distribution of a chemical under steady state, non-equilibrium conditions; and can show the percent
distribution and estimates of chemical concentrations in each of the six environmental
compartments cited in the Level I discussion above. In comparison to a Level I model, the Level III
calculations consider degradation, advection, and intermedia transport processes. Results of the
Level III fugacity analysis are sensitive to the relative amounts of the emissions data used in the
model calculations. Emissions rate data are needed for the air, water and soil compartments. If
emissions data are not available for a chemical, the model uses default emissions, which are 1000
kg/hr each into air, water, and soil; and 0 kg/hr into sediment. These default values and physico-
chemical property values from Table 2 were used in the model calculations for the members of the
Higher Olefins Category. Percent distribution results for the Higher Olefins category are presented
in Annex, Table 1.
Results of the Level III modelling for members of the Higher Olefins Category suggest that the
water compartment is the primary environmental compartment to which C6-C8 internal olefins will
partition. As the chain length increases beyond C10, soil and sediment become the primary
compartments, followed by water and then air. The prediction that the higher molecular weight
olefins will partition to soil/sediment is a consequence of their high organic/carbon partition
coefficients (Koc) (see Annex, Table 1). This can be attributed to the olefins having a high tendency
to bind to particulate matter in the water column, thus binding more to soil and sediment. The
larger the olefins are in chain length, the less persistent they are in the atmosphere and water.
However, in soil and sediment the olefins increase in persistence with increasing chain length. As
biodegradation results (Table 5) indicate that there is no real trend of decreasing biodegradation as
the chain length increases, the decreased percentages found in the solid phases are likely due more
to increasing sorption and reduced leaching and volatilisation.
The fact that results of Level I and Level III fugacity models differ is not unexpected because of the
different assumptions made in the models. Level I models evaluate the relative environmental
distribution at equilibrium or steady state. Level III models reflect equilibrium partitioning but also
the loading factors, modelled as continuous releases to all media. The Level III model used default
values for releases that are relatively large. Consequently, the quantities in the Model III
compartments do not reflect equilibrium conditions as much as the continuous input values.
Swann et al. (1983) reported that a chemical with a Koc value between 150 and 500 would move
through the soil at a moderate rate. This rate slows between 500 and 2,000. Chemicals with Koc
values between 2,000 and 5,000 can be considered to have practically no mobility, and may be
considered immobile at values greater than 5,000. The estimated (EPIWIN, 2000b) Koc data
(Annex,Table 1) show that the lower chain olefins have Koc values (149, 275, 507 for C6, C7 and C8,
respectively) which indicate a potential to migrate through a soil horizon to ground water at a
moderate rate. As the carbon number increases, the potential for these chemicals to migrate through
soil decreases to the degree that C12 and higher carbon number olefins (Koc values ≥5864) have only
a negligible, if any, potential for migration. These are general characterizations based on the Koc
values for these chemicals, which with increasing carbon number show that there is an increasing
tendency to sorb to organic matter. As the sorptive potential increases for a chemical, it will tend to
remain bound to organic matter rather than dissolve into water and migrate with the percolating
water.

14 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

Actual migration through a soil horizon will be influenced by several physical characteristics of the
environment and chemical. One chemical characteristic that can significantly impact the relative
amounts of these chemicals that will remain available to migrate through soil is volatility. The C6-
C10 olefins have a vapor pressure of greater than 1 mmHg (1.33 hPa), suggesting that they will tend
to volatilize from surface soils at a relatively rapid rate. In comparison, the C12-C18 olefins have
vapor pressures less than 1 mmHg, suggesting that volatilization will have a lesser impact on their
loss from surface soils. As a result, the loss of the higher chain olefins from surface soils may be
influenced more by biodegradation because they have a lower potential to migrate and volatilize.

2.2.5 Biodegradation
Existing data for category members (C10-C13 internal olefins, 1-hexadecene and 1-octadecene) and
structural analogues of C6-C18 category members show that chemicals in the Higher Olefins
Category can biodegrade aerobically to a large extent within a few weeks. For some alkenes within
the C6 – C18 range (1-hexene, 1-decene, and 1-hexadecene), the data show that they fit the OECD
criteria for ready biodegradability (Table 5). The C6-C18 olefins have been shown to degrade to an
extent of approximately 8 to 81% in standard 28-day biodegradation tests. Although no
experimental results are available for C6 – C10 category members, results for studies with surrogate
chemicals suggest that the C6 – C10 category members would achieve degradation rates in the
general range of 20-70% within 28 days in a standard biodegradation test.
While, in total, biodegradation tests indicate the category is biodegradable and thus non persistent,
the data vary over a wide range. Both structural features and test conditions can have an effect on
biodegradation results. Carbon number, location of the double bond (internal vs. alpha) and
branching are structural features that can affect biodegradability. Inoculum source and
concentration, substrate concentration, and use of dispersants to enhance solubility of poorly
soluble compounds are examples of test conditions potentially affecting biodegradation results.
Based on Henry’s law constant values, most of the category members are expected to be fairly
volatile. It is not clear from the available information that precautions were taken in all studies to
prevent loss of substrate through volatilisation. Thus, volatile losses may have contributed to the
observed variability.
As far as structural features, carbon number would be expected to play a role in biodegradation
from both solubility/bioavailability and steric effects. There is no clear correlation between carbon
number and degree of biodegradation for alpha olefins. The internal olefins may exhibit increasing
biodegradation with increasing carbon number, up to C24 (compare the C20-C24 with the C6-C12
results in Table 5). Overall, the data suggest double bond location to be more important than carbon
number. Theoretically, the branched olefins might be expected to be less biodegradable. However,
the existing data do not support this supposition. Testing in an OECD 301B test with a C20-C24
branched and linear material (>70% branched) resulted in 92% degradation in 28 days. Both
substrate and benzoate showed unusually high percent biodegradation (92 and nearly 100 %,
respectively), suggesting some bias in the test. However, since both substrate and benzoate were
biased the same way, the test still supports ready biodegradability of the substrate.
Location of the double bond in the alpha versus an internal position appears to play a role in
biodegradability. The C6-C12 internal olefins have a lower percentage biodegradation while the
higher carbon numbered internal olefins have, generally, a greater percent biodegradation (Table 5).
Alpha olefin biodegradation appears to be insensitive to carbon number across the range tested.
One literature source of general olefin biodegradability information makes a statement that the
alpha olefins are favoured over internal olefins (Pitter and Chudoba, 1990). This publication

UNEP PUBLICATIONS 15
OECD SIDS HIGHER OLEFINS

tabulates BOD/ThOD (Theoretical Oxygen Demand) data for example olefins, but the data do not
support the text’s statement since all the ratios fall in the same range.
A variety of OECD and ISO methods were used in the testing. The lower C6-C14 internal olefins
were tested with 301F, while the C16 and greater were tested by other methods. All are acceptable
methods, but this variety could account for some of the variability in the results. However, review
of the test conditions, as summarized in the robust summaries, does not highlight any systematic
effects. The poor solubility of C8 and higher olefins make bioavailability a potential factor if the
mass transfer effects impede biodegradation rates. However, most test conditions used either steady
agitation or some form of dispersing medium to enhance solubilization during the test period. As
far as test method effects are concerned, the source of inoculum is probably the greatest, and least
controllable, source of variation.
Additional estimates of aerobic biodegradability of the members of the Higher Olefins Category
were obtained using BIOWIN (versions 4.00 and 4.01), a subroutine of the computer program
EPIWIN (EPIWIN, 2000a,b). The BIOWIN estimations are consistent across carbon numbers and
show “fast” biodegradation with primary degradation predicted to occur in days for all members of
the category. “Ultimate biodegradation” was predicted to occur in “days to weeks” for C6 and C7
olefins, and in “weeks” for C8 to C18 olefins.
Conclusions
• The weight of evidence shows that members of the Higher Olefins Category have the potential
for degradation in the environment.
• Bond location appears to play a role in biodegradability, with alpha olefins showing higher
degradability than internal olefins; however, available data are not clearly correlated with
carbon number or any other identifiable parameter.
• Test protocols vary, but no systematic bias in results can be observed from the data presented.
Inadequately controlled loss of substrate through volatilisation may have contributed to the
observed variability.

Table 5 Summary of ready biodegradability tests for members of the Higher Olefins
Category (shaded rows) and surrogate chemicals (C6 – C30 alkenes) a
Chemical Substance Alpha/Internal Method Biodegradation at Pass (P)/Fail
(AO/IO) 28 Days (%) (F) for Ready
Biodegradation
CAS No. 592-41-6, 1-Hexene AO 301C O2 77 Pd
CAS No. 592-41-6, 1-Hexene AO Closed Sturm CO2 22 F
CAS No. 68526-52-3 Alkenes, IO 301F O2 21 F
C6
CAS No. 68526-54-5; Alkenes, IO 301F O2 29 F
C7-9, C8 Rich
CAS No. 68526-56-7; Alkenes, IO 301F O2 21 F
C9-11, C10 Rich
CAS No. 872-05-9, 1-Decene AO 301F O2 81 Pc
CAS No. 68526-58-9, Alkenes, IO 301F O2 23 F
C11-13, C12 rich [C11-13]
CAS No. 68526-58-9, Alkenes, IO 301F O2 8 F
C11-13, C13 rich [C12-14]

16 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

Chemical Substance Alpha/Internal Method Biodegradation at Pass (P)/Fail


(AO/IO) 28 Days (%) (F) for Ready
Biodegradation
CAS No. 85535-87-1, Alkenes IO 301D O2 65-70 Fe
C10-13b
CAS No. 85535-87-1, Alkenes IO 301D O2 60-67 Fe
C10-13b
CAS No. 1120-36-1, AO 301D O2 62-65 Fe
1-Tetradecene
CAS No. 1120-36-1, AO 301B CO2 48-56 F
1-Tetradecene
CAS No. 629-73-2, AO 301C O2 55-77 (mean = 68) Pd
1-Hexadecene b
CAS No. 112-88-9, AO 301D O2 39-48 F
1-Octadecene b
CAS No. 112-88-9, AO 301B CO2 77-81 Ff
1-Octadecene b
CAS No. 26952-14-7, IO ISO Marine BODIS 48 F
Hexadecene; CAS No. 27070- O2
58-2, Octadecene
CAS Nos. 182636-03-9, IO 301B CO2 92 Pc
182636-04-0, and 182636-05-1;
C20-24 Alkenes, branched and
linear
CAS Nos. 182636-05-1; IO 301B CO2 51 F
182636-06-2, 182636-08-4;
C24-30 Alkenes, branched and
linear
a
Study details and references are found in the robust summaries in the dossiers.
b
Member of Higher Olefins Category
c
Passed: Met criteria for “ready biodegradability” by achieving 60% degradation within the 10-day window.
d
Passed: This is a MITI Test and the 10-day window criterion does not apply.
e
Failed because it is not known whether 60% biodegradation was achieved within the 10-day window.
f
Failed because 60% biodegradation was not achieved within the 10-day window.

2.2.6 Bioaccumulation
Based on the model predictions of the BCF (bioconcentration factor) subroutine (version 2.14 or
2.15) of the computer program EPIWIN (version 3.10 or 3.11; EPIWIN, 2000a,b), the C6, C7, C16
and C18 Higher Olefins Category members are not expected to bioaccumulate. Although the C8-C13
olefins have BCF ranging from 659 to 748, and Kow values ranging from 4.13 to 6.59, and thus are
considered to have the potential for bioaccumulation, their physico-chemical properties and fate
indicate that there would be limited environmental exposure because of volatility, biodegradability
and limited solubility. The estimated BCFs are shown in Table 6.

UNEP PUBLICATIONS 17
OECD SIDS HIGHER OLEFINS

Table 6 Calculated bioconcentration factors (BCF) for Higher Olefins Category


membersa
Hexene Heptene Octene Nonene Decene Dodecene Alkenes, 1-Hexadecene 1-Octadecene
C10-13
BCF 46 236 659 632 489 313 489- 748 71 3
a
Calculation details and references are found in the robust summaries in the dossiers.

2.2.7 Other Information on Environmental Fate


No data available

2.3 Human Exposure

2.3.1 Occupational Exposure


No governmental occupational exposure standards are available for any of the compounds within
the category (ACGIH, 2003). However, one company reported an internal standard of 100 ppm for
hexene and octene (343, and 458 mg/m3 respectively). Members of the Higher Olefins Category
are produced commercially in closed systems and are used primarily as intermediates in the
production of other chemicals (to include polymers). C16 and C18 olefins are blended with other
chemicals for use as drilling fluids for off-shore oil exploration. Any occupational exposures that do
occur are most likely by the inhalation and dermal routes. Should these exposures occur, then the
potential for exposure via the inhalation route would decrease as the carbon number increases due
to the subsequent increase in boiling point and decrease in vapour pressure. Furthermore, it is a
common practice to use personal protective equipment. In the case of dermal exposures, protective
gloves would be worn due to the mildly irritating properties of this class of chemicals (ACC Higher
Olefins Panel, 2002).

2.3.2 Consumer Exposure


None of the compounds within the category were identified on the National Library of Medicine
Household Products Database (NLM, 2003b). The primary intended use of the chemicals in this
category is in the synthesis of other industrial chemicals. Therefore, consumer exposure is not
expected.

3 HUMAN HEALTH HAZARDS

3.1 Effects on Human Health


The exposure routes of concern for human health are considered to be dermal and inhalation. Data
presented in the SIAR are considered the key studies to describe the hazards of these compounds.
All other data may be found in each individual chemical’s respective dossier.

3.1.1 Toxicokinetics, Metabolism and Distribution


Studies with several alpha or internal olefins spanning the range from C6 to C16 indicate that
metabolism occurs in hepatic endoplasmic reticulum via initial formation of a transient epoxide,
which is further metabolized to the corresponding glycol or conjugated with glutathione (Watabe

18 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

and Yamada, 1975; Maynert et al., 1970; Oesch, 1973; Watabe and Maynert, 1968). The latter two
metabolites are likely to be excreted in urine as mercapturic acids (Sipes and Gandolfi, 1991).
Effects seen in repeated-dose studies with C6, C8, and C14 alpha olefins and C6, C18 and C20-C24
internal olefins (see Section 3.1.5) indicate that these olefins are absorbed by the blood and reach
the liver and kidneys following oral or inhalation exposure. Studies of the toxicokinetic properties
of inhaled C2-C10 alpha olefins confirm that, within the carbon number range tested, absorption
occurs and that the alkenes accumulate in the brain, liver, kidneys and perirenal fat, with the
concentrations increasing with the number of carbon atoms (Eide et al., 1995; Zahlsen et al., 1993).
Studies in Animals
In vivo Studies
Absorption, distribution and elimination were studied in the rat after inhalation of individual C2-C8
1-alkenes at 300 ppm, 12 hr/day for 3 consecutive days (Eide et al., 1995). Concentrations of
olefins measured in blood, lung, brain, liver, kidney and perirenal fat reached steady state levels
after the first 12 hr of exposure, and concentrations 12 hr after the last exposure were generally low
(<3% of the concentrations immediately after exposure), except in the fat. Concentrations of 1-
alkenes in blood and tissues increased with increasing number of carbon atoms (see Table 7).
The toxicokinetic properties of C8-C10 1-alkenes were studied in the rat after inhalation of
individual alkenes at 100 ppm, 12 hr/day for 3 consecutive days (Zahlsen et al., 1993).
Concentrations of olefins were measured in blood, brain, liver, kidney and perirenal fat immediately
after each exposure and 12 hr after the third exposure. The 1-alkenes showed an efficient absorption
to blood combined with accumulation in organs, with the concentration increasing with number of
carbon atoms. After the 12-hour recovery period, very little 1-alkene was found in blood, brain,
liver or kidney; but the concentrations of C8, C9 and C10 1-alkenes in fat were 31, 46 and 66%,
respectively, of the concentrations on Day 3 (see Table 8).
Another in vivo experiment was conducted to determine whether the olefinic double bond is
implicated as a participant in the NADPH-dependent destructive interaction of olefins with the
P-450 enzyme (Ortiz de Montellano and Mico, 1980). Phenobarbital-treated rats were injected with
1-heptene, cis and trans 2-nonene, 4-ethyl-1-hexene, and 3-methyl-1-octene. Four hours after
treatment, the livers were analyzed for the presence of abnormal hepatic pigments. These pigments
have been shown to be porphyrins derived from the prosthetic heme moiety of inactivated P-450
enzymes. Hepatic green pigments were formed after administration of 4-ethyl-1-hexene, 3-methyl-
1-octene and 1-heptene. The cis- and trans-2-nonenes produced no abnormal pigments.

UNEP PUBLICATIONS 19
OECD SIDS HIGHER OLEFINS

Table 7 Concentrations of individual 1-alkenes after the third daily 12 hr inhalation


exposure of rats to 300 ppm and concentrations in fat 12 hr after the third
exposure (n=4) (Eide et al., 1995)a
Chemical Blood Liver Lung Brain Kidneys Fat Fat 12 hr
after 3rd
exposure
Ethene 0.3 0.4 2.3 0.7 0.7 7 nd
Propene 1.1 0.3 2.9 1.7 1.8 36 nd
1-Butene 1.9 0.8 4.9 3.0 5.7 70 0.3
1-Pentene 8.6 51.6 31.4 41.0 105.7 368 19
1-Hexene 18.2 66.8 59.7 59.7 188.0 1031 77
1-Heptene 37.0 138.3 85.6 109.3 269.3 2598 293
1-Octene 60.1 443.7 202.4 270.0 385.1 4621 943
a
All concentrations are in µmol/kg; nd = not detectable (detection limits not provided)

Table 8 Concentrations of individual 1-alkenes after the third daily 12 hr inhalation


exposure of rats to 100 ppm and after 12 hr recovery (n=4) (Zahlsen et al.,
1993)a
1-Octene 1-Nonene 1-Decene
After third After 12 hr After third After 12 hr After third After 12 hr
exposure recovery exposure recovery exposure recovery
Blood 12.4 0.1 15.9 0.4 16.4 0.7
Brain 69.7 0.5 116.3 2.7 138.1 6.3
Liver 78.9 nd 130.4 1.1 192.8 4.0
Kidney 139.3 0.9 146.7 4.6 162.0 9.3
Fat 720 226 2068 953 2986 1971
a
All concentrations are in µmol/kg; nd = not detectable (limit of detection varied between substances and organs:
in blood and organs generally within range from 0.1 – 1 µmol/kg; in fat from 5 – 10 µmol/kg)

In vitro Studies
1-Hexene was tested in an in vitro system and was demonstrated to cause the autocatalytic
destruction of cytochrome P-450 and heme in hepatic microsomes from phenobarbital pretreated
rats (Shell Development Company, 1984).
In the presence of rat liver microsomes and NADPH, n-1-octene, n-4-octene and 3-ethyl-2-pentene
were converted to the glycols with no trace of epoxide (Maynert et al., 1970). The relative yields of
the glycols (11.3%, 4.0%, 0.12%) indicate that increasing substitution of the ethylenic moiety by
alkyl groups decreases the rate of the reaction. In the presence of the epoxide hydrolase inhibitor,
4,5-epoxy-n-octane, the product from 10 µmoles n-1-octene contained 1,2-epoxy-n-octane (0.40
µmoles) and n-octane-1, 2-diol (0.23 µmoles), whereas in the absence of the inhibitor, only the
glycol (0.64 µmoles) could be detected. In the presence of 1,2-epoxy-n-octane, the substrate n-4-
octene produced the epoxide but not the glycol. The authors concluded that it is likely that the
biological conversion of the alkenes proceeds through epoxides.

20 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

1-Heptene, 2-nonene, 3-hexene, 4-ethyl-1-hexene, 3,3-dimethyl-1-hexene, 3-methyl-1-octene and


2-methyl-1-heptene were tested in an in vitro experiment in which hepatic microsomes from
phenobarbital-pretreated rats were incubated with NADPH and analyzed for the presence of
cytochrome P-450 (Ortiz de Montellano and Mico, 1980). Hepatic microsomal cytochrome P-450
was destroyed in vitro, in the presence of NADPH, by 4-ethyl-1-hexene, 3-methyl-1-octene, 2-
nonene and 1-heptene. The cis- and trans-2-nonenes exhibited marginal destructive activity (10%
loss after 30 minutes). No significant cytochrome P-450 loss was observed after incubation with 2-
methyl-1-heptene, 3,3-dimethyl-1-hexene or 3-hexene, suggesting that steric and electronic factors
can suppress the destructive interaction. The epoxides of 3 of the terminal olefin substrates were
synthesized and shown not to intervene in destruction of the enzyme by the parent olefins.
1-Hexadecene and an epoxide hydrolase inhibitor, 1,2-epoxydecane, were incubated with rabbit
liver microsomes and an extract was analyzed (Watabe and Yamada, 1975). The formation of the
epoxide (1,2-epoxyhexadecane) was observed only when the olefin was incubated in the presence
of the epoxide hydrolase inhibitor. In the absence of inhibitor, 1,2-dihydroxyhexadecane was
formed. The authors concluded these results indicate that 1-hexadecene is metabolized to 1,2-
dihydroxyhexadecane via 1,2-epoxyhexadecane.
Conclusion
Metabolism of Higher Olefins Category members occurs in hepatic endoplasmic reticulum via
initial formation of a transient epoxide, which is further metabolized to the corresponding glycol or
conjugated with glutathione. The latter two metabolites are expected to be excreted in urine as
mercapturic acids.
Following oral or inhalation exposure, category members are expected to be absorbed by the blood
and to accumulate in the brain, liver, kidneys and perirenal fat, with the concentration increasing
with the number of carbon atoms, at least through C10, the highest carbon number evaluated. The
increased retention in fat of alkenes with higher carbon numbers is presumably a function of their
increased lipophilicity, and decreased likelihood to be exhaled unchanged, compared to the lower
volatile alkenes. Since unchanged alkenes are not considered to be toxic, and because tissue levels
rapidly cleared after exposure ceased, this concentration, especially in fat tissues, is unlikely to have
any biological effect.

3.1.2 Acute Toxicity


Results of the acute studies, summarized in the Annex, Table 2, indicate that alkenes ranging in
carbon number from C6 to C24, alpha and internal, linear and branched, demonstrate low acute
toxicity by the oral, inhalation and dermal routes of exposure: Rat oral LD50 >5 g/kg; rat 4-hr
inhalation LC50 range = 110 mg/L (32,000 ppm) to 6.4 mg/L (693 ppm) for C6 to C16; and rat/rabbit
dermal LD50 > highest doses tested (1.43 - 10 g/kg).
Studies in Animals
Inhalation
By the inhalation route in rats, mice and guinea pigs, results of many studies with C6-C16 alpha and
internal olefins show that median lethal concentration values (LC50) are greater than the saturated
mist concentration or a vapour concentration limited by the Lower Explosive Limit (LEL). The rat
4-hr inhalation LC50 range = 110 mg/L (32,000 ppm) to 6.4 mg/L (693 ppm) for C6 to C16.

UNEP PUBLICATIONS 21
OECD SIDS HIGHER OLEFINS

Dermal
Many studies with alpha and internal olefins ranging from C6-C24 show that the median lethal dose
values (LD50) for the dermal route of exposure in rabbits are greater than the highest doses tested,
which ranged from 1.43 g/kg to 10 g/kg. Similarly, the dermal LD50 values for rats exposed to a C12
or C20-C24 alpha olefin, a C10-C13 internal olefin, or a C20-C24 internal (branched and linear) olefin,
are greater than the highest doses tested (2-10 g/kg).
Oral
Many studies with C6-C24 alpha and internal olefins show that the median lethal dose values (LD50)
for the oral route of exposure in rats are greater than 5 g/kg; and, in those studies in which the
highest dose tested was 10 g/kg, the LD50 was found to be greater than 10 g/kg.
Studies in Humans
Inhalation
In a review, Cavender (1998) noted that 1-hexene, when inhaled at a concentration of 0.1 percent
(1000 ppm), causes central nervous system (CNS) depression with mucous membrane irritation,
vertigo, vomiting and cyanosis.
Conclusion
By the oral, dermal, and inhalation routes of exposure, the Higher Olefins Category members
appear to have a low order of acute toxicity.

3.1.3 Irritation
The data for irritation are summarized in the Annex Table 2a.
Skin Irritation
Studies in Animals
Skin irritation studies are available for C6-C18 alpha and internal olefins. Most available data show
that, under 4-hr semi-occluded conditions, C6-C18 alpha and internal olefins are only mildly
irritating to rabbit skin (see the Annex Table 2a). When current testing guideline recommendations
were used, only two of the products tested (C10 and C12 alpha olefins) produced 24-72 hr scores for
erythema or edema ≥2. When tested under more extreme conditions (24-hr exposure, abraded skin,
occluded dressing), several alpha and internal olefins caused irritation.
In a repeated dose study, 1-hexadecene was administered to skin of guinea pigs on 4 alternate days
during 7 days at 0.5-0.6 ml/day and skin evaluations were made every other day for 20 days
following the first treatment (Hoekstra and Phillips, 1963). The report does not indicate that the
treated site was covered or cleaned between or after applications. Skin irritancy was graded on a 0-8
scale. 1-Hexadecene was severely irritating with a maximum score of 8..
Studies in Humans
A human patch test was performed with 1-octadecene (Shell Oil Company, 1992a). Each volunteer
received a single 24-hour semi-occluded patch exposure to undiluted material and to dilutions in
mineral oil (25%, 10% and 1%). No evidence of irritation was noted with dilute applications, but
strong clinical reactions were produced by the undiluted 1-octadecene.

22 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

Eye Irritation
Studies in Animals
Eye irritation studies with C6-C18 alpha and internal olefins indicate that these chemicals are only
slightly irritating to rabbit eyes (see the Annex Table 2a).
Respiratory Tract Irritation
Studies in Animals
No animal studies have been identified for this endpoint.
Studies in Humans
In a review, Cavender (1998) noted that 1-hexene, when inhaled, at a concentration of 0.1 percent
(1000 ppm), causes mucous membrane irritation; however, there is no evidence that 1-hexene or
any C6-C18 alpha or internal olefin causes serious respiratory irritation.
Conclusion
Based on available data, exposure to category members may cause mild skin and eye irritation and
inhalation of the lower chain length members may cause mild respiratory tract irritation. Prolonged
exposure of the skin for many hours may cause skin irritation.

3.1.4 Sensitisation
The available data for sensitisation are summarized in the Annex Table 2a.
Studies in Animals
Skin
Available data for C6-C18 alpha and internal olefins indicate that these materials do not cause skin
sensitisation in guinea pigs.
Respiratory Tract
No data were identified for this endpoint.
Studies in Humans
Skin
Thirty-six human volunteers received nine induction exposures (24-hr, semi-occluded patch on
upper arm) to a 25% dilution of 1-octadecene in mineral oil (Shell Oil Company, 1992b). Challenge
applications failed to elicit sensitisation reactions.
Respiratory Tract
No data were identified for this endpoint.
Conclusion
Based on data provided, members of the Higher Olefins Category are not likely to be skin
sensitisers.

UNEP PUBLICATIONS 23
OECD SIDS HIGHER OLEFINS

3.1.5 Repeated Dose Toxicity


Similar low levels of toxicity were demonstrated in several rat oral repeated dose studies with
structural analogues of members of the Higher Olefins Category. The substances tested were: C6, C8
and C14 linear alpha olefins, C6 internal olefin (58% branched), C16/C18 internal olefins (26%
branched), C18 internal olefin (32.5% branched) and C20-C24 internal olefins (>70% branched).
When tested in rats by the inhalation route, 1-hexene, a structural analogue of hexene (the category
member with the highest vapour pressure), produced only reduced bodyweight in females and
questionable organ weight changes. Data also exist for a short-term (14 days) dermal study in rats
(C12-C16 alpha olefin blend). The data for repeated dose toxicity are summarized in the Annex Table
2.
Studies in Animals
Inhalation
1-hexene: A subchronic study of 1-hexene was conducted by inhalation, considered to be the most
relevant route for human repeated exposure (Gingell et al., 1999). Rats were exposed to 0, 300,
1000, and 3000 ppm (0, 1.03, 3.44, and 10.33 mg/L) 1-hexene for 90 days (6 hrs/day, 5 days/week)
and evaluated for systemic toxicity. No mortalities and no clinical signs of toxicity attributable to
1-hexene exposures were observed. Female rats exposed to 3000 ppm had significantly lower body
weights. Several statistically significant effects in hematology, clinical chemistry, and urinalysis
evaluations were observed: elevated serum phosphorus in males at 300, 1000 and 3000 ppm and in
females at 1000 and 3000 ppm; lower serum lactate dehydrogenase in female rats exposed to 1000
ppm, and in both male and female rats exposed to 3000 ppm; lower serum albumin in female rats
exposed to 3000 ppm; elevated hematocrit and RBC count in 3000 ppm males and in 1000 and
3000 ppm females; lower mean corpuscular hemoglobin and hemoglobin concentration in 1000 and
3000 ppm females. These findings were either of small magnitude or did not correlate with
histopathological findings, and thus did not appear to be of biological significance. At 3000 ppm,
male rats exhibited slightly increased absolute and relative testicular weights; however, when the
left testicle was detunicated prior to weighing, there was no statistically significant increase in testis
weight compared with the controls. Female rats had slightly decreased absolute (but not relative)
liver and kidney weights, at 3000 ppm. No treatment-related gross or histological lesions were
noted in these or other tissues. Sperm counts were observed and were not considered to show
statistical significance. Exposure to 1-hexene did not affect neuromuscular coordination in females
as determined using the Rotorod. The NOEL appeared to be 3.44 mg/L (1000 ppm), based on
changes in body weight and questionable organ weight changes at 10.33 mg/L (3000 ppm). The
LOEL was 10.33 mg/L (3000 ppm).
Dermal
C12-C16 alpha olefins: A blend of C12-C16 alpha olefins was administered to skin of rats once daily
for nine applications in a two-week period at 2.0 g/kg (undiluted) and 1.0 g/kg (diluted 1:1 with
corn oil) (Gulf Life Science Center, 1983a). All animals survived to the end of the study and no
moribund animals were observed during the study. The high dose produced severe skin reactions in
all animals. Dermal reactions increased in severity with the number of applications. When the test
material was administered at a 1.0-g/kg level, slight skin reactions were seen. Depressed body
weight gains were observed in the 2.0-g/kg group but not in the 1.0 g/kg group. The decreases in
bodyweight were associated with decreases in the absolute weights of most organ systems and
small but statistically significant differences in the relative weight ratios for several organs. No
treatment-related effects were noted for food consumption, clinical signs (other than dermal
reactions), hematology, or clinical chemistry. Treatment was associated with histological changes in

24 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

the skin at the point of application in all animals, but there were no other microscopic changes seen
that could be associated with the test substance. Study authors concluded that, under conditions of
the study, repeated dermal applications of the blend of C12-C16 alpha olefins at 2.0 g/kg, but not at
1.0 g/kg, caused severe skin reactions and depressed body weight gains. The reviewer assessed
NOAEL for systemic effects was 1.0 g/kg/day and the LOAEL was 2.0 g/kg/day, based on
decreased body and organ weights.
Oral
Alkenes, C6 (internal, 58% branched): Rats were orally dosed with alkenes, C6 (OECD 422
combined repeated dose toxicity and reproduction/developmental toxicity screening test) at
concentrations of 0, 100, 500 or 1000 mg/kg/day (Thorsrud, 2003a). The reproduction/
developmental toxicity results from this study are discussed in Section 3.1.8; and the neurotoxicity
results are discussed in Section 3.1.9. There were no toxicologically meaningful differences noted
in mean body weights, body weight gain, food consumption, hematology, coagulation or the
clinical chemistry parameters evaluated. In males, statistically significant differences in organ
weight data included higher absolute adrenal weight in the 100 mg/kg/day group; higher absolute
kidney weights in the 100, 500 and 1000 mg/kg/day groups; higher kidney weight relative to final
body weight in the 500 and 1000 mg/kg/day groups; and higher liver weight relative to final body
weight in the 1000 mg/kg/day group. In females, statistically significant differences in organ weight
data included higher kidney weight relative to final body weight in the 500 and 1000 mg/kg/day
groups, and higher liver weight relative to final body weight in the 1000 mg/kg/day group. None of
the differences was considered toxicologically meaningful since they did not correlate with any
toxicologically significant histopathological changes. Minimal to mild hyaline droplet nephropathy
within the proximal convoluted tubules were observed in males in the 1000 mg/kg/day group;
however, the author concluded that these findings are not considered toxicologically significant to
humans. The NOAEL was determined to be 1000 mg/kg/day. The NOEL for systemic toxicity was
100 mg/kg/day for females (kidney effects). No NOEL was determined for males due to kidney and
adrenal effects. The LOEL was 500 mg/kg/day for females and 100 mg/kg/day for males.
1-hexene: Groups of 5 male and 5 female rats were exposed to 1-hexene via gavage for 28 days at
0, 10, 101, 1010 and 3365 mg/kg/day (OECD Test Method 407) (Dotti et al., 1994). The main
effect exhibited was irritation of the gastric mucosa at the two top dose levels (> 1010 mg/kg/day)
along with reduced body weights. Spleen weights were reduced at the top dose of 3365 mg/kg/day,
but there were no associated histological findings. Pathological changes were restricted to gastric
effects. The NOEL for the study was determined to be 101 mg/kg/day for males (male-rat specific
kidney effect) and 1010 mg/kg/day for females. The LOEL was 3365 mg/kg/day for females and
1010 mg/kg/day for males.
1-hexene: Gingell et al. (2000) conducted a reproduction/developmental toxicity screening study
(OECD 421) in rats with 1-hexene (gavage at doses of 0, 100, 500 and 1000 mg/kg/day). The
reproductive and developmental toxicity results are discussed in Section 3.1.8. Male rats were
dosed for 44 consecutive days and females were dosed for 41-55 consecutive days. No effects were
observed in females. The following kidney effects were observed in males: pitted kidneys (2/12 in
500 mg/kg/day group and 3/12 in the 1000 mg/kg/day group); and the accumulation of eosinophilic
hyaline droplets in the proximal convoluted tubules in all treated rats (incidence of 0/12, 7/12, 8/12
and 9/12 for the 0, 100, 500 and 1000 mg/kg/day groups). The extent of hyaline droplet formation
also increased with dose. Although there was no immunohistochemical verification, the authors
concluded that the formed droplets were alpha2u-globulin, specific to male rats. The NOEL for
males was <100 mg/kg/day and the LOEL was 100 mg/kg/day. The NOEL for females was 1000
mg/kg/day.

UNEP PUBLICATIONS 25
OECD SIDS HIGHER OLEFINS

1-octene: Four groups of 20 male and 20 female rats were dosed via gavage with 1-octene for 90
days at 0, 5, 50, and 500 mg/kg/day (Til et al., 1986). Changes that were considered treatment-
related occurred only in the high-dose group. They consisted of increased kidney weights (in both
sexes), histopathological renal changes (males only), decreased plasma chloride (in both sexes), and
increased plasma creatinine concentration (females only). These findings indicate a nephrotoxic
effect at 500 mg/kg/day. The authors of the study concluded the NOEL to be between 50 and 500
mg/kg/day and probably only slightly less than 500 mg/kg/day. The authors’ rationale was based
on only slight changes being observed at 500 mg/kg/day and no-treatment related effects being
observed at the next lower dose of 50 mg/kg/day. When compared to the control group there were
no significant differences in body weight, food intake, signs of toxicity or behavioral abnormalities,
which could be related to the test substance. Upon review of the study, it appears that the only
NOEL demonstrated from the data is 50 mg/kg/day. This conclusion is based on the limitations of
the doses utilized in the study design and treatment-related effects that were observed at 500
mg/kg/day. The LOEL was 500 mg/kg/day.
1-tetradecene: Rats were orally dosed with 1-tetradecene (OECD modified 422, combined repeated
dose toxicity and reproduction/developmental toxicity screening test) at concentrations of 0, 100,
500, and 1000 mg/kg/day (Daniel, 1995). (The reproductive/developmental toxicity results from
this study are discussed in Section 3.1.8; and the neurotoxicity results are discussed in Section
3.1.9.). An increased incidence of minimal-to-mild hepatocyte cytoplasmic vacuolation, associated
with increased liver weights, was observed in both sexes at >500 mg/kg/day, with the distribution
being inconsistent (multifocal, centrilobular, periportal, generalized). Pitted kidneys and an
accumulation of hyaline droplets in the proximal convoluted tubules of the kidneys occurred in
males at all dose levels. The kidney effects were interpreted to be a result of hydrocarbon
nephropathy, which is specific to male rats. The NOEL for females was 100 mg/kg/day (liver
effects). A NOEL for systemic toxicity to the males was not determined due to the hydrocarbon
nephropathy. The LOEL was 500 mg/kg/day for females and 100 mg/kg/day for males.
C16/C18 internal linear and branched olefin (26% branched): Rats were orally dosed with a C16/C18
internal linear and branched olefin (OECD 407) at concentrations of 0, 25, 150 or 1000 mg/kg/day
for 4 weeks (Clubb, 2000). Functional observations were performed for neurotoxicity evaluation
(see Section 3.1.9). There was little evidence of toxicity noted in animals treated at levels up to
1000 mg/kg/day. A slight increase in male body weight was noted at 1000 mg/kg but the increase
did not achieve statistical significance. Statistically significant, but equivocal, changes in urinary
volume (higher than controls) and kidney weight (lower than controls) were considered unlikely to
be treatment-related in the absence of any macro- or microscopic changes. There were no treatment-
related findings associated with treatment at 25 or 150 mg/kg/day. The NOAEL was 1000
mg/kg/day.
C18 internal linear and branched olefin (32.5% branched): In a combined reproduction/
developmental toxicity screening test (OECD 421), a C18 internal linear and branched olefin was
administered by gavage to rats at doses of 0, 100, 500 and 1000 mg/kg/day (Thorsrud, 2003b). The
reproductive and developmental toxicity results are discussed in Section 3.1.8. General toxicity
endpoints were limited to mortality, clinical observations, bodyweight, food consumption, gross
necropsy examination, and reproductive organ weights and histopathology. The NOAEL was 1000
mg/kg/day.
C20-C24 internal branched and linear olefins (>70% branched): The test material was administered
by gavage to rats at 0, 100, 500 and 1000 mg/kg/day for a period of 13 weeks (OECD 408)
(Brooker, 1999). At the end of the 13-week treatment period, 10 male and 10 female animals from
the control and high dose groups were maintained, undosed for a 4-week period to assess recovery.
There were no deaths during the study. No clinical signs or effects on bodyweight or food intake

26 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

were seen. No ophthalmological or neurobehavioral effects were noted (see Section 3.1.9 for a
discussion of the neurobehavioral screen). Slight yet reversible changes in hematological
parameters were noted amongst animals receiving 1000 mg/kg/day. Group mean glucose levels
were significantly higher amongst male rats receiving 500 and 1000 mg/kg/day. Minimal, adaptive
hepatic changes (centrilobular hepatocyte hypertrophy), associated with higher group mean liver
weight, were detected in a small number of females of all treated groups, but was statistically
significant only at 1000 mg/kg/day. An increased incidence of minimal or slight adrenal cortical
hypertrophy was noted amongst females receiving 1000 mg/kg/day associated with increased
adrenal weight. An increased incidence of minimal or slight epithelial hyperplasia in the stomach
was noted amongst males receiving 1000 mg/kg/day. These findings were not present following a
4-week recovery period and were considered to be of no toxicological importance. The author
assessed NOAEL was 1000 mg/kg/day. The NOEL was 100 mg/kg/day for males (glucose). The
NOEL for females was 500 mg/kg/day (adrenal and liver effects). The LOEL was 500 mg/kg/day
for males and 1000 mg/kg/day for females.
Studies in Humans
No data were identified.
Conclusion
Repeated dose studies in which rats were exposed by the inhalation route (C6 alpha), dermal route
(C12-C16), or oral route (C6 alpha and internal linear/branched; C8 and C14 alpha; and C16/C18, C18
and C20-C24 internal linear/branched), have shown comparable levels of low toxicity. In females,
alterations in body and organ weights, changes in certain clinical chemistry/hematology values, and
liver effects were noted (NOELs of ≥ 100 mg/kg oral or ≥3.44 mg/L [≥ 1000 ppm] inhalation). In
males, alterations in organ weights, changes in certain clinical chemistry/hematology values, liver
effects, and kidney damage were noted (LOELs ≥ 100 mg/kg oral only). Male rat nephropathy was
reported on oral administration of C6, C8 and C14 linear alpha olefins and C6 internal olefins (58%
branched), but was not seen in a study with C16/C18 internal (26% branched) olefins or C20- C24
branched and linear internal olefins (>70% branched). While no specific immunohistochemical
staining was conducted to identify the hyaline droplets associated with the observed kidney effects,
their morphology and occurrence only in male rats suggests that they are probably related to alpha
2µ-globulin nephropathy, a male rat specific effect that is not considered relevant to human health
(Hard et al., 1993; Baetcke et al., 1990). Slight increases in liver effects were seen in rat repeated
dose oral studies with the C14 and C20-C24 alkenes (hepatocytic cytoplasmic vacuolation and
associated increases in liver weights in males and females at high doses of 1-tetradecene, and
centrilobular hepatocyte hypertrophy and associated increases in liver weights in females at high
doses of C20-C24 branched and linear internal olefins). Neither these findings nor other effects were
present in the study with C20-C24 branched and linear internal olefins following a 4-week recovery
period, indicating reversibility of the observed effects; and no liver effects were noted in a study
with C16/C18 branched and linear internal olefins. Cytoplasmic vacuolation of hepatocytes is a
common hepatic lesion in rodents, and may in part be an adaptive hypertrophic response to an
intensified metabolic liver burden (Schulte-Hermann, 1974). It is generally considered to be caused
by accumulation of glycogen and/or triglycerides; and it is possible that the effects are an indirect
effect related to consumption of food, or to glycogen metabolism, rather than a direct toxic effect of
the olefin.

3.1.6 Mutagenicity
Tests for gene mutation and chromosome aberrations exist for C6 and C18 linear alpha olefins
(Huntingdon Research Center, 1990a, 1990b, 1990c; Dean, 1980; Shell Development Company,

UNEP PUBLICATIONS 27
OECD SIDS HIGHER OLEFINS

1983a, 1983b, 1983c; Gulf Life Sciences Center, 1983b, 1983c, 1983d; Hazleton, 1982a), for C6
(60-74% branched) (Exxon Biomedical Sciences, 1991a, 1991b, 1991c) and C20-C24 internal olefins
(>70% branched) (Thompson, 1998; Durward, 1998; and Wright, 1998), and for several of the
homologues within those ranges. Based on the weight of evidence, these substances are not
genotoxic. The available data for mutagenicity are summarized in the Annex Table 2.

In vivo Studies
Negative results were seen in bone marrow micronucleus tests in which mice were exposed via
inhalation to 1000 - 25,000 ppm (3.44 – 86.05 mg/L) 1-hexene for 2 hrs/day for 2 days (Gulf Life
Sciences, 1983b). Dermal application of a C12-C16 blend of alpha olefins to mice also failed to
induce an increase in micronucleated bone marrow erythrocytes (Gulf Life Sciences, 1983d). Via
the oral route of exposure, weakly positive results were seen in a study with a C6 branched internal
olefin at 5 g/kg (Exxon Biomedical Sciences, 1991b), but this compound was negative when
repeated via the inhalation route at 1057 ppm (3.64 mg/L, saturated vapours) for 6 hrs/day for 2
days (Exxon Biomedical Sciences, 1991c). Oral exposure studies with C6-C8 (Exxon Chemical
Company, 1993) and C8-C10 branched internal olefins (Exxon Biomedical Sciences, 1991e) at 5
g/kg, and with a C16 alpha olefin at 7.85 g/kg (Research Institute of Organic Synthesis, 1990), were
negative. A micronucleus study with C20-C24 linear and branched internal olefins at 2 g/kg via the
intraperitoneal route of exposure was also negative (Durward, 1998)Evidence of bone marrow
toxicity was observed only in the oral exposure studies with a C8-C10 branched internal olefins and
with a C16 alpha olefin.
In vitro Studies
The C6-C24 alpha and internal olefins are not considered to be genotoxic as a result of a broad range
of negative in vitro studies: bacterial reverse mutation (Exxon Biomedical Sciences, 1991a, 1991d;
Huntingdon, 1990a; Hazleton, 1982a; Shell Development Company, 1983b; Brooks et al., 1983;
Burghardtova et al., 1984; Dean, 1980; Research Institute of Organic Synthesis, 1990; and
Thompson 1998); mitotic gene conversion in yeast (Brooks, 1982; Dean, 1980); mammalian cell
gene mutation (Huntingdon, 1990b; Gulf Life Sciences, 1983c); chromosome aberration (Shell
Development Company, 1983a, 1983c; Huntingdon, 1990c; Wilmer, 1986; Dean, 1980; Wright,
1998); transformation (Goode and Brecher, 1983a, 1983b; Shell Development Company, 1983d)
and unscheduled DNA synthesis (Gulf Life Sciences, 1984 a, 1984b).
Conclusion
Based on the weight of evidence from studies with linear alpha and linear and branched internal
olefins, category members are not genotoxic.

3.1.7 Carcinogenicity
No carcinogenicity tests have been conducted on C6-C18 alpha or internal olefins. However, there
are no structural alerts indicating a potential for carcinogenicity in humans.

3.1.8 Toxicity for Reproduction


Reproductive toxicity screening studies are available for C6 and C14 alpha olefins, and C6 branched
and C18 branched and linear internal olefins. In addition, male and female reproductive organs have
been examined in repeated dose studies with C6 alpha olefin and C16/C18 and C20-C24 branched and

28 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

linear internal olefins (see Section 3.1.5). No evidence for reproductive effects was seen in any of
these studies.
Effects on Fertility
Alkenes, C6 (internal, 58% branched olefin): Alkenes, C6 was administered orally in a combined
repeated dose/reproduction/developmental toxicity screening test (OECD 422) in which rats were
exposed for a minimum of 14 days prior to mating, and continuing through lactation day 3
(Thorsrud, 2003a). Dose levels were 0, 100, 500, and 1000 mg/kg/day. There were no
toxicologically meaningful differences noted in F0 bodyweights, body weight change, food
consumption, gross necropsy findings, or reproductive organ weights and histopathology. There
was no evidence of impaired reproductive capabilities in the F0 generation, as measured by effects
on copulation and fertility, precoital intervals, gestation length, time to delivery or unusual nesting
behavior. No histological changes were seen in reproductive organs of treated rats. The NOAEL for
reproductive effects was >1000 mg/kg/day. The results for developmental toxicity are described
below; and results from the repeated dose toxicity phase of the study are described in Section 3.1.5.
1-hexene: 1-Hexene was orally administered via gavage to male and female rats in a
reproduction/developmental toxicity screening test (OECD 421) at the following doses: 0, 100, 500
and 1000 mg/kg/day in corn oil (Gingell et al., 2000). Male rats were treated for 28 days prior to
mating and for an additional 16 days (44 total days). Females were dosed for 14 days prior to
mating and during mating, gestation and lactation (41-55 days). There were no effects on the
following reproductive parameters: precoital intervals, gestation length, pregnancy rates, copulation
and fertility indices. Absolute epididymal weights for males were statistically lower in all treated
groups compared to controls and the epididymal/brain relative weights were also lower in all treated
groups compared to controls (although only the low dose group was statistically significant). The
biological significance of the decreased epididymal weights is uncertain because of no apparent
histopathological effects in the epidiymis and the lack of effect on male reproductive performance.
Therefore, the NOAEL for reproductive toxicity is 1000 mg/kg/day. The results for developmental
toxicity are described below. The kidney effects observed in F0 males have been described
previously in section 3.1.5.
1-tetradecene: 1-Tetradecene, administered orally, was evaluated for reproductive and
developmental toxicity in a combined repeated dose/reproduction/developmental toxicity screening
test (OECD 422) in which male rats were exposed for 28 days prior to mating, and through mating
until euthanasia for a total of 43-47 consecutive days of dosing; 12 females were dosed for 14 days
prior to mating, during mating, gestation and lactation through euthanasia at lactation day 4 (42-51
consecutive days) (Daniel, 1995). A satellite group of eight females was assessed for neurotoxic
analysis (see section 3.1.9). Dose levels were 0, 100, 500, and 1000 mg/kg/day. There was no
evidence of impaired reproductive capabilities in the F0 generation, as measured by effects on
copulation and fertility, precoital intervals, gestation length, time to delivery or unusual nesting
behavior. No histological changes were seen in reproductive organs of treated rats. The NOEL for
reproductive effects was >1000 mg/kg/day. The results for developmental toxicity are described
below; and results from the repeated dose toxicity phase of the study are described in Section 3.1.5.
C18 branched and linear internal olefin (32.5% branched): A C18 branched and linear internal olefin
was orally administered via gavage to male and female rats in a reproduction/developmental
toxicity screening test (OECD 421) at the following doses: 0, 100, 500 and 1000 mg/kg/day in corn
oil (Thorsrud, 2003b). Male rats were treated for 14 days prior to mating, during mating, and for 4
weeks following mating. Females were dosed for 14 days prior to mating and during mating,
gestation and lactation (to lactation day 3). There were no toxicologically meaningful differences
noted in F0 bodyweights, body weight change, food consumption, gross necropsy findings, or

UNEP PUBLICATIONS 29
OECD SIDS HIGHER OLEFINS

reproductive organ weights and histopathology. There were no effects on the following
reproductive parameters: copulation and fertility, precoital intervals, gestation length, time to
delivery or unusual nesting behavior. Therefore, the NOAEL for parental and reproductive toxicity
is 1000 mg/kg/day. The results for developmental toxicity are described below.
Developmental Toxicity
alkenes, C6 (internal 58% branched): Alkenes, C6, administered orally, was evaluated in a combined
repeated dose/reproduction/developmental toxicity screening test (OECD 422) in which rats were
exposed for a minimum of 14 days prior to mating, and continuing through lactation day 3 at dose
levels of 0, 100, 500, and 1000 mg/kg/day (Thorsrud, 2003a). There was no evidence of
developmental toxicity in the F1 generation, as measured by the number of implantation sites and
corpora lutea, the number of live and dead pups, number of litters with live offspring, mean litter
size and male to female pup ratio, pup survival and weights, and external observations. The
NOAEL for developmental effects was >1000 mg/kg/day. The results for effects on fertility are
described above; and results from the repeated dose toxicity phase of the study are described in
Section 3.1.5.
1-hexene: 1-Hexene was orally administered via gavage to male and female rats in a
reproduction/developmental toxicity screening test (OECD 421) at dose levels of 0, 100, 500, and
1000 mg/kg/day as described above in the Effects on Fertility section (Gingell et al., 2000). There
was no evidence of developmental toxicity in the F1 generation, as measured by the number of
implantation sites and corpora lutea, the number of live and dead pups, number of litters with live
offspring, mean litter size and male to female pup ratio, pup survival and weights, and external
observations. The NOEL for developmental effects was >1000 mg/kg/day. The results for effects
on fertility are described above.
1-tetradecene: 1-Tetradecene, administered orally, was evaluated for reproductive and
developmental toxicity in a combined repeated dose/reproduction/developmental toxicity screening
test (OECD 422) at dose levels of 0, 100, 500, and 1000 mg/kg/day, as described above in the
Effects on Fertility section (Daniel, 1995). There was no evidence of developmental toxicity in the
F1 generation, as measured by the number of implantation sites and corpora lutea, the number of
live and dead pups, number of litters with live offspring, mean litter size and male to female pup
ratio, pup survival and weights, and external observations. The NOEL for developmental effects
was >1000 mg/kg/day. The results for effects on fertility are described above; and results from the
repeated dose toxicity phase of the study are described in Section 3.1.5.
C18 branched and linear internal olefin (32.5% branched): A C18 branched and linear internal olefin
was orally administered via gavage to male and female rats in a reproduction/developmental
toxicity screening test (OECD 421) at dose levels of 0, 100, 500, and 1000 mg/kg/day, as described
above in the Effects on Fertility section (Thorsrud, 2003b). There was no evidence of
developmental toxicity in the F1 generation, as measured by the number of implantation sites and
corpora lutea, the number of live and dead pups, number of litters with live offspring, mean litter
size and male to female pup ratio, pup survival and weights, and external observations. The
NOAEL for developmental effects was >1000 mg/kg/day. The results of the effects on fertility are
described above.
Conclusion
Based on evidence from reproduction/developmental toxicity screening tests in rats with C6 and C14
alpha olefins and C6 and C18 branched and linear internal olefins, along with the findings of no
biologically significant effects on male or female reproductive organs in repeated dose toxicity

30 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

studies, the Higher Olefins Category members are not considered to cause reproductive or
developmental toxicity.

3.1.9 Neurotoxicity
Neurotoxicity was evaluated in six studies as part of other test protocols already discussed above,
two performed with 1-hexene, one with alkenes, C6 (internal, 58% branched), one with 1-
tetradecene, one with a C16/C18 internal branched and linear olefin (26% branched), and one with a
C20-C24 internal branched and linear olefin (>70% branched). Neurotoxicity was not observed in
any of the studies. The studies utilizing 1-hexene assessed neuromuscular coordination in rats,
evaluated by rotorod, which indicated no effect after oral administration for 28 days (3365
mg/kg/day) (Dotti et al., 1994) or via inhalation for 90 days (3000 ppm/10.33 mg/L) (Gingell et al.,
1999). Alkenes, C6 (internal branched) and 1-tetradecene were tested in combined repeated
dose/reproduction/developmental toxicity screens, which evaluated a satellite group of eight female
rats for motor activity, clinical pathology and functional observational battery (Thorsrud, 2003a;
Daniel, 1995). Results indicated that there were no test article-related differences that would
indicate neurotoxicity in rats treated orally at 1000 mg/kg/day. The study with C16/C18 internal
branched and linear olefin assessed neurotoxicity using a functional observation battery (Clubb,
2000). Results showed no neurotoxicity in rats treated orally at 1000 mg/kg/day for 4 weeks. When
a C20-C24 internal branched and linear olefins blend was tested in a 90-day rat oral repeated dose
study, which included an evaluation of motor activity and a functional observational battery, no
neurobehavioral effects were seen at 1000 mg/kg/day (Brooker, 1999).
Conclusion
Based on evidence from neurotoxicity screens included in repeated dose studies with C6 and C14
alpha olefins, C6 internal branched olefins; and C16/C18 and C20-C24 internal branched and linear
olefins, the category members are not neurotoxic.

3.2 Initial Assessment for Human Health


Olefins (alkenes) ranging in carbon number from C6 to C24, alpha (linear) and internal (linear and
branched) demonstrate low acute toxicity by the oral, inhalation and dermal routes of exposure: Rat
oral LD50 >5 g/kg; rat 4-hr inhalation LC50 range = 110 mg/L (32,000 ppm) to 6.4 mg/L (693 ppm)
for C6 to C16; and rat/rabbit dermal LD50 > highest doses tested (1.43 -10 g/kg). Repeated dose
studies, using the inhalation (C6 alpha), dermal (C12-C16 alpha), or oral (C6 alpha and internal
linear/branched; C8 and C14 alpha; and C16/C18, C18 and C20-C24 internal linear/branched) routes of
exposure, have shown comparable levels of low toxicity in rats. In females, alterations in body and
organ weights, changes in certain clinical chemistry/hematology values, and liver effects were
noted (NOELs of ≥ 100 mg/kg oral or ≥ 3.44 mg/L [1000 ppm] inhalation). In males, alterations in
organ weights, changes in certain clinical chemistry/hematology values, liver effects, and kidney
damage were noted (LOELs ≥ 100 mg/kg oral only). The male rat kidney damage was seen in oral
studies with C6, C8 and C14 linear alpha olefins and C6 internal branched olefins, but was not seen in
studies with C16/C18 or C20-C24 internal linear/branched olefins. While no specific
immunohistochemical staining was conducted to identify the hyaline droplets associated with the
observed kidney effects, their morphology and occurrence only in male rats suggest that they are
probably related to alpha2µ-globulin nephropathy, a male rat specific effect that is not considered
relevant to human health. The noted liver effects were seen in oral studies with C14 alpha olefins
(minimal-to-mild hepatocyte cytoplasmic vacuolation with increased liver weight in males and
females) and with C20-C24 internal olefins (minimal centrilobular hepatocyte hypertrophy with
increased liver weight in females only). No effects were present in the study with C20-C24 internal

UNEP PUBLICATIONS 31
OECD SIDS HIGHER OLEFINS

olefins following a 4-week recovery period, indicating reversibility of the observed effects. These
liver effects seen only with the larger molecules may be indirect effects of an intensified liver
burden, rather than a direct toxic effect of the olefin. Based on evidence from neurotoxicity screens
included in repeated dose studies with C6 and C14 alpha olefins and with C6, C16/C18 and C20-C24
internal linear/branched olefins, the category members are not neurotoxic. Based on evidence from
reproductive/developmental toxicity screens in rats with C6 and C14 alpha olefins and C6 and C18
linear/branched internal olefins, along with the findings of no biologically significant effects on
male or female reproductive organs in repeated dose toxicity studies, the category members are not
expected to cause reproductive or developmental toxicity. Based on the weight of evidence from
studies with alpha and internal olefins, category members are not genotoxic. No carcinogenicity
tests have been conducted on C6-C18 alpha or internal olefins; however, there are no structural alerts
indicating a potential for carcinogenicity in humans. These materials are not eye irritants or skin
sensitizers. Prolonged exposure of the skin for many hours may cause skin irritation. The weight of
evidence indicates alpha and internal olefins with carbon numbers between C6 and C24 have a
similar and low level of mammalian toxicity, and the toxicity profile is not affected by changes in
the location of the double bond or the addition of branching to the structure. Thus, the data available
for the C6-C24 alkenes are adequate to characterize the human health hazards of substances included
in the Higher Olefins Category and justify the category designation. The data indicate a low hazard
potential for human health for members of the Higher Olefins Category, which is consistent with
the conclusion reached at SIAM 11 for the Alpha Olefins Category.

4 HAZARDS TO THE ENVIRONMENT

4.1 Aquatic Effects


Products in this category are expected to cause a relatively narrow range of toxicity to freshwater
fish, invertebrates and algae. This assessment is based on existing data for products that can be
used to read across to this category and results of computer modelling using ECOSAR for selected
chemical components of product streams in this category [ECOSAR is an aquatic toxicity
modelling program and is a subroutine contained in EPIWIN (EPIWIN, 1999a,b; 2000a,b)]. The
relatively narrow range of toxicity for the lower molecular weight members of the category is not
unexpected because:
• Constituent chemicals of products in this category are neutral organic hydrocarbons whose toxic
mode of action is non-polar narcosis and whose potencies are equivalent.
• Although the double bond location is different for alpha and internal olefins, for same carbon
number olefins, the aquatic toxicity of the two types of olefins are anticipated to be similar.

The toxic mechanism of short-term toxicity for these types of chemicals is disruption of biological
membrane function (van Wezel and Opperhuizen, 1995), and the differences between measured
toxicities (i.e., LC/LL50, EC/EL50) can be explained by the differences between the target tissue-
partitioning behavior of the individual chemicals (Verbruggen et al., 2000). The existing fish
toxicity database for narcotic chemicals supports a critical body residue (CBR, the internal
concentration that causes mortality) of between 4-5 mmol/kg fish (wet weight) (McCarty and
Mackay, 1993; McCarty et al., 1991), and supports the assessment that these chemicals have equal
potencies within the range of solubility that results in toxicity. When normalized to lipid content,
the CBR is approximately 50 µmol of hydrocarbon/g of lipid for most organisms (DiToro et al.,
2000).

32 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

The members of the Higher Olefins Category include alpha and internal olefins. Computer
modelling suggests that aquatic toxicity does not differ with bond location, alpha compared to
internal. The data shown in Tables 9 and 10 illustrate this point. EPIWIN (EPIWIN, 1999b, 2000b)
was used to estimate the water solubility and octanol/water partitioning coefficient (Kow) values.
The log Kow was then used in the U.S. EPA’s ECOSAR computer program (EPIWIN, 1999b,
2000b) to estimate toxicity to fish, Daphnia, and alga.
Table 9 compares calculated acute toxicity values of C6-C10 internal olefins for a fish, Daphnia, and
alga. Calculated water solubility and log Kow values are also presented for these chemicals. The
data show that toxicity increases with increasing carbon number, which is consistent with
increasing Kow values. In comparison, water solubility for these olefins decreases as carbon
number increases. Toxicity values for C12-C18 olefins are not included because olefins in this
molecular weight range will not cause acute toxicity for the endpoints listed in Table 9. The lack of
acute toxicity is due to water solubility limitations for chemicals in this range of carbon numbers. In
other words, higher molecular weight olefins will not be in solution at concentrations that will result
in a CBR within the range that would produce mortality.

Table 9 Calculated aquatic toxicity, water solubility and log Kow values for selected C6
to C10 internal olefinsa
Chemical CAS # Fish 96h Daphnid Green Water Log Kow
LC50 48h LC50 Algae Solubility (calculated)
(mg/L) (mg/L) 96hEC50 (calculated)
(mg/L) (mg/L)b
Hexenec 25264-93-1 6.16 7.10 4.72 30.32 3.07
d
Heptene 25339-56-4 2.09 2.51 1.73 9.27 3.64
Octened 25377-83-7 0.83 1.03 0.73 3.35 4.13
c
Nonene 27215-95-8 0.38 0.48 0.35 1.41 4.55
d
Decene 25339-53-1 0.12 0.16 0.12 0.41 5.12
a
EPIWIN (EPIWIN, 2000b) was used to estimate the water solubility and octanol/water partitioning coefficient
(Kow) values. The log Kow was then used in the U.S. EPA’s ECOSAR computer program to estimate toxicity
to fish, Daphnia, and alga.
b
Value shown is value used by EIPWIN for ECOSAR calculation.
c
EPIWIN used structure with double bond between second and third carbons.
d
EPIWIN used alpha structure.

Table 10 compares a second set of calculated toxicity values between alpha and internal olefins.
These data show that similar toxicity is expected for a carbon number regardless of bond location.
A comparison of toxicity values for 1-, 2-, and 3- hexene for a fish, Daphnia, and alga show similar
toxicity within each individual organism. This similarity in toxicity for each carbon number is
consistent through 1- and 5-decene. As seen with the data presented in Table 9, toxicity increases as
carbon chain length increases.

UNEP PUBLICATIONS 33
OECD SIDS HIGHER OLEFINS

Table 10 Calculated aquatic toxicity, water solubility, and log Kow values for selected C6
to C10 alpha and internal olefinsa
Chemical CAS # Fish Daphnid Green Water Log Kow
96h 48h LC50 Alga 96h Solubility (calculated)
LC50 (mg/L) EC50 (calculated)
(mg/L) (mg/L) (mg/L)b
1-Hexene 592-41-6 5.18 6.01 4.01 25.13 3.15
t-2-Hexene 4050-45-7 6.16 7.10 4.72 30.32 3.07
t-3-Hexene 13269-52-8 6.16 7.10 4.72 30.32 3.07
1-Heptene 592-76-7 2.09 2.51 1.73 9.27 3.64
t-2-Heptene 14686-13-6 2.49 2.97 2.03 11.19 3.56
t-3-Heptene 14686-14-7 2.49 2.97 2.03 11.19 3.56
1-Octene 111-66-0 0.83 1.03 0.73 3.35 4.13
t-2-Octene 13389-42-9 0.96 1.19 0.84 3.95 4.06
3-Octene 14919-01-8 0.96 1.19 0.84 3.95 4.06
t-4-Octene 14850-23-8 0.96 1.19 0.84 3.95 4.06
1-Decene 872-05-9 0.12 0.16 0.12 0.41 5.12
t-5-Decene 7433-56-9 0.14 0.19 0.14 0.50 5.04
a
EPIWIN (EPIWIN, 2000b) was used to estimate the water solubility and octanol/water partitioning coefficient
(Kow) values. Default values were used for calculations. The log Kow was then used in the U.S. EPA’s
ECOSAR computer program to estimate toxicity to fish, Daphnia, and alga.
b
Value shown is the default calculated water solubility value that ECOSAR used for the toxicity calculations.

Acute Aquatic Toxicity Test Results


For acute aquatic toxicity, the existing data (Table 11) indicate that through the C10 olefins, acute
toxicity can be observed (C6: EC/LC50 range of 1-10 mg/L; C7-C10: EC/LC50 range of 0.1-1.0 mg/L),
and that toxicity increases with increasing carbon number within that range, which is consistent
with increasing Kow values (3.07 – 5.12). Product solubility during toxicity testing is critical to
understanding both observations and estimates of effects. Solubility is within the range of observed
acute toxicity. For an internal decene stream (CAS No. 25339-53-1), the acute toxicity to fish was
observed to be 0.12 mg/L and the corresponding estimated solubility using ECOSAR suite
(EPIWIN, 2000b) is 0.41 mg/L. The effects seen in algae, Daphnia, and fish are approximately
equal at water solubility. However, since that value is the LC50, there were concentrations above
the LC50 of 0.12 mg/L that may not have been in solution. Above a chain length of 10, toxicity is
not observed within the limits of solubility. The results for tetradecene and higher carbon numbers
indicating LL0/EL0 > 1000 mg/L only show that there was no toxicity at any exposure
concentration. The solubility was too low to have resulted in toxicity. Therefore, meaningful acute
toxicity data can be identified only at or below C10 where solubility is high enough to allow the
acute effects to be expressed.
Determining the aquatic toxicity of products that have relatively low water solubility and higher
vapour pressure, like those in this category, can be difficult because they tend not to remain in
solution. These data show that the measured and calculated values are in good agreement through
octene, and they also support that the test methods used procedures that were able to maintain
exposures. These data are believed to form a sufficiently robust dataset to fully characterize the
acute aquatic toxicity endpoints in the OECD HPV Chemicals Programme.

34 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

Table 11 Algae toxicity and invertebrate and fish acute toxicity of C6-C24 alkenesa
Chemicalb Acute Toxicity to Fish Acute Toxicity to Acute Toxicity to Plants
(Rainbow trout unless Invertebrates (Algae)
otherwise specified) (Daphnia) (mg/L)
(mg/L) (mg/L)

Hexene NDA NDA NDA


(CAS # 25264-93-1)
Alkenes, C6 96-hr LC50 = 6.6 48-hr EC50 = 4.4 96-hr EC50 (cell density) = 4.6
(internal branched (measured) (measured) 96-hr NOEC (cell density) = 1.8
stream) 96-hr LL50 = 12.8 48-hr EL50 = 20 96-hr EbC50 (biomass) = 4.5
(CAS# 68526-52-3) (nominal) (nominal)
96-hr NOEC (biomass) = 0.23
96-hr NOEC = 2.9 Static, sealed vessel
96-hr ErC50 (growth rate) >5.5
(measured) conditions with minimal
headspace 96-hr NOEC (growth rate) = 1.8
Mortality, semi-static; no
headspace; WAFd (measured)
Static; WAF; sealed vessel
conditions with no headspace
1-hexene 24,48,72,96-hr LC50 = 9.7, 48-hr EL50 = 32 96-hr EC50 > solubility
(CAS# 592-41-6) 5.6, 5.6 and 5.6 (measured) (estimated); 96-hr EL0>22 (22 mg/L was the
Semi-static, minimal NOEC = 10 (nominal) highest nominal concentration
headspace to prevent losses Static, stoppered flask tested that was below the water
through evaporation solubility)
Static; endpoint was biomass; no
attempt to prevent evaporation;
no reduction in cell numbers at
1000 mg/L (nominal)
Heptene NDA NDA NDA
(CAS# 25339-56-4)
Octene NDA NDA NDA
(CAS# 25377-83-7)
Alkenes, C7-9, C8 96-hr LC50 = 0.87 NDA NDA
rich (internal stream) (measured)
(CAS# 68526-54-5) 96-hr LL50 = 8.9 (nominal)
96-hr NOEC = 0.4
(measured)
Mortality, semi-static; no
headspace; WAF
2-Octene (trans) Zebra fish (Brachiodanio 48-hr EL50>3.2<10 NDA
(CAS# 111-67-1) rerio) (nominal) (est. to be
96-hr LL50 = 7.5 (nominal) about 6)
96-hr NOEC = 3.2 48-hr NOEC = 3.2
(nominal) (nominal)
Semi-static, stirred 4 hr Static, stirred 4 hr before
before adding fish, glass- adding test animals;
stoppered flask tested in glass-stoppered
flask
1-Octene Zebra fish (Brachiodanio 48-hr EL50>3.2<10 NDA
(CAS# 111-66-0) rerio) (nominal) (est. to be
24-96-hr LL50>3.2 <10 about 6)
(nominal) (est. to be about 48-hr NOEC = 3.2
6) (nominal)

UNEP PUBLICATIONS 35
OECD SIDS HIGHER OLEFINS

Chemicalb Acute Toxicity to Fish Acute Toxicity to Acute Toxicity to Plants


(Rainbow trout unless Invertebrates (Algae)
otherwise specified) (Daphnia) (mg/L)
(mg/L) (mg/L)
96-hr NOEC = 3.2 Static, stirred 4 hr before
(nominal) adding test animals;
Semi-static, stirred 4 hr tested in glass-stoppered
before adding fish, glass- flask
stoppered flask
Nonene NDA NDA NDA
(CAS# 27215-95-8)
1-Nonene Zebra fish (Brachiodanio 48-hr EL50 <3.2 NDA
(CAS# 124-11-8) rerio) (nominal) (est. to be
48-hr LL50>3.2 <10 about 2)
(nominal) (est. to be about Static, stirred 4 hr before
6) adding test animals;
96-hr LL50 <3.2 (nominal) tested in glass-stoppered
flask
Semi-static, stirred 4 hr
before adding fish, glass-
stoppered flask
Decene NDA NDA NDA
(CAS# 25339-53-1)
Alkenes, C9-11, C10 96-hr LC50 = 0.12 NDA NDA
rich (internal stream) (measured)
(CAS# 68526-56-7) 96-hr NOEC = 0.06
(measured)
96-hr LL50 = 4.8 (nominal)
Mortality, semi-static; no
headspace; WAF; mortality
at ≥ 0.08 mg/L
Dodecene NDA NDA NDA
(CAS# 25378-22-7)
Alkenes, C11-13, 96-hr EC50 > solubility NDA NDA
C12 rich (internal 96-hr LL0 =86.0 (nominal;
stream) estimated to be <0.20
(CAS# 68526-58-9) [lowest analyzed standard])
Mortality, semi-static; no
headspace;WAF; no
mortality
Alkenes, C10-13 96-hr LC50 > solubility 48-hr EL50 = 0.74 NDA
(CAS# 85535-87-1) 96-hr LL0 = 1000 (nominal)
(Studies conducted (nominal) Static, vessels not sealed,
with C10-13 internal Semi-static, vessels not no headspace; no
olefin blends having sealed, solution aerated. dissolved test substance
composition Concentrations utilized in observed at the highest
different from the testing were greater than the dose (5 mg/L)
current product) water solubility; 2 studies;
no mortality in 1 study and
1/10 fish died in the other
study
1-Tetradecene 99% 96-hr LC50 > solubility 48-hr EC50 > solubility. 96-hr EC50 > solubility.

36 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

Chemicalb Acute Toxicity to Fish Acute Toxicity to Acute Toxicity to Plants


(Rainbow trout unless Invertebrates (Algae)
otherwise specified) (Daphnia) (mg/L)
(mg/L) (mg/L)
(CAS# 1120-36-1) Actual concentration Actual concentration Actual concentration negligible.
negligible. negligible. 72- 96 hr EL0 = 1000 (nominal)
96-hr LL0 = 1000 (nominal) 24-hr EL0 and 48-hr Growth; static test; WAF;
Mortality; semi-static test; EL0 = 1000 (nominal) concentration utilized in testing
WAF; concentration utilized Immobility; semi-static greater than water solubility; no
in testing greater than water test; WAF; concentration toxicity seen at 1000 mg/L
solubility; TOCe analysis at utilized in testing greater
0 hr demonstrated that than water solubility;
values for exposure media TOC analysis at 0 hr
were no greater than control demonstrated that values
value; no toxicity seen at for exposure media were
1000 mg/L no greater than control
value; no toxicity seen at
1000 mg/L
1-Hexadecene 96-hr LC50 > solubility NDA 72-hr EbC50 > solubility
(CAS# 629-73-2) Actual concentration 24-48-hr ErC50 > solubility
negligible. Actual concentration negligible.
96-hr LL0 = 1000 (nominal) 72-hr EL0 = 1000 (nominal)
Mortality; semi-static test; Growth; static test; WAF;
WAF; concentrations concentration utilized in testing
utilized in testing greater greater than water solubility;
than water solubility; TOC TOC analysis at 0 hr
analysis at 0 hr demonstrated that values for
demonstrated that values for exposure media were no greater
exposure media were no than control value; no toxicity
greater than control value; seen at 1000 mg/L
no toxicity seen at 1000
mg/L
1-Octadecene 96-hr LC50 > solubility 24-hr and 48-hr EC50 > 96-hr EC50 > solubility
(CAS# 112-88-9) 96-hr LL0 = 1000 solubility 96-hr EL0 = 1000 (nominal)
(nominal) 24-hr and 48-hr EL50 Growth; static test;
Mortality; semi-static test; >1000 (nominal) concentrations utilized in testing
concentrations utilized in Immobility; static test; greater than solubility; no
testing greater than concentrations utilized in toxicity seen at 1000 mg/L
solubility; no toxicity seen testing greater than water
at 1000 mg/L solubility; <4%
immobilized during 48-
hr exposure to 1000
mg/L (nominal)
C16/C18 internal Turbot (Scopthalmus NDA NDA
linear and branched maximus)
blend (50/50) 96-hr LC50 > solubility
(CAS# 26952-14-7) 96-hr LL0 = 10,000
(nominal)
Mortality; semi-static test;
concentrations utilized in
testing greater than water
solubility; no toxicity seen
at 10,000 mg/L
C20-24 linear alpha 96-hr LC50 > solubility NDA 72-hr EC50 > solubility

UNEP PUBLICATIONS 37
OECD SIDS HIGHER OLEFINS

Chemicalb Acute Toxicity to Fish Acute Toxicity to Acute Toxicity to Plants


(Rainbow trout unless Invertebrates (Algae)
otherwise specified) (Daphnia) (mg/L)
(mg/L) (mg/L)
olefin blend Actual concentrations Actual concentration negligible.
(CAS# 93934-10-8) negligible. 72-hr EL0 = 1000 (nominal)
96-hr LL0 = 1000 (nominal) Growth rate, area under the
Mortality; semi-static test; curve; static test; WAF;
WAF; concentrations concentrations utilized in testing
utilized in testing greater greater than solubility; TOC
than solubility; TOC analysis at 0 hr demonstrated
analysis at 0 hr that values for exposure media
demonstrated that values for were no greater than control
exposure media were no value; no toxicity seen at 1000
greater than control value; mg/L
no toxicity seen at 1000
mg/L
C20-24 internal 96-hr LC50 > solubility 48-hr EC50 > solubility 96-hr EC50 > solubility
linear and branched Actual concentrations Actual concentrations Actual concentrations negligible.
blend negligible. negligible. 96-hr EL0 = 1000 (nominal)
(C20 CAS# 182636- 96-hr LL0 = 1000 (nominal) 48-hr EL0 = 1000 Growth; static test; WAF;
03-9; C22 CAS# Mortality; semi-static test; (nominal) Immobility; concentrations utilized in testing
182636-04-0; C24 WAF; concentrations static test; WAF; greater than solubility; TOC
CAS# 182636-05-1) utilized in testing greater concentrations utilized in analysis at 0 hr and at end of
than solubility; TOC testing greater than test demonstrated that values for
analysis at 0 hr and at end of solubility; TOC analysis exposure media were no greater
1st 24 hr of testing at 0 and 48 hr than control value; no toxicity
demonstrated that values for demonstrated that values seen at 1000 mg/L
exposure media were no for exposure media were
greater than control value; no greater than control
no toxicity seen at 1000 value; no toxicity seen at
mg/L 1000 mg/L
a
Study details and references are found in the robust summaries in the dossiers.
b
Higher Olefins Category members are shaded.
c
NDA: No reliable data available
d
WAF: Water accommodated fractions used due to the low water solubility of the test material.
e
TOC: Total Organic Carbon

Chronic Toxicity Test Results


No chronic toxicity data were found for C6- C18 alpha or internal olefins. Based on the acute toxicity
results shown in Table 11 and a log Kow value >4.2, the C10 alpha olefin was selected for testing in
chronic aquatic invertebrates (Daphnia), to clarify the chronic toxicity of this category. (Please see
the History section on the SIAR cover page for further information.) The 1-decene Daphnia magna
21 day EC10 was 20.0 µg/L and the EC50 was 28.1 µg/L (ExxonMobil 2004). Reproduction and
growth were more sensitive than survival, resulting in a NOEC of 19.4 µg/L and a LOEC of 28.7
µg/L. The maximum water solubility of 1-decene under the conditions used to generate the stock
solution was approximately 210 µg/L.
The chronic toxicity values estimated for the C6 – C13 category members using the computer
program ECOSAR (EPIWIN, 2000b) are generally consistent with the experimental value for 1-
decene (see Table 12). Chronic toxicity is not expected for 1-hexadecene or 1-octadecene, whose
water solubility limits are less than the NOEC for 1-decene.

38 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

Table 12 Predicted chronic toxicity results for Higher Olefins Category membersa
Chemical CAS# Fish Daphnia Algae
30-day ChV 16-day EC50 96-hr ChV
(µg/L) (µg/L) (µg/L)
Hexene (C6) 25264-93-1 942 582 876
Heptene (C7) 25339-56-4 351 264 445
Octene (C8) 25377-83-7 150 134 249
Nonene (C9) 27215-95-8 73 75 152
Decene (C10) 25339-53-1 26 32 73
Undecene (C11) 28761-27-5 13 18 44
Dodecene (C12) 25378-22-7 4 8 21
Tridecene (C13) 25377826 2 4 11
[component of
Alkenes, C10-13]
a
EPIWIN (EPIWIN, 2000b) was used to estimate the octanol/water partitioning coefficient (Kow) values. The
log Kow was then used in the U.S. EPA’s ECOSAR computer program to estimate chronic toxicity values
(ChV) for fish and algae and a 16-day EC50 value for Daphnia. CAS#s were used for input into EPIWIN.
EPIWIN used alpha structures for all except hexene, nonene and undecene. Similar results (not shown) were
obtained when structures with the double bond located between the second and third carbon were entered into
the program.

Toxicity to Microorganisms
Available data for C6, C8, C10, C14 and C18 alpha olefins and C20-C24 internal olefins (see Table 13)
suggest that the members of the Higher Olefins Category do not cause toxicity to microorganisms at
saturation levels.

Table 13 Summary of toxicity to microorganismsa


Chemical Species Method Result
1-hexene (1)Pseudomonas (1) 79/931/EEC, Annex V, (1)Maximum inhibition was 24% at
fluorescens According to 1000 mg/L
(2)13 marine bacteria Degradability, (2)Toxic effect [log EC10 (mol/L)
Ecotoxicity, and = -0.49]; log EC50 > saturation
Bioaccumulation, TNO, level
Delft, The Netherlands,
1977

(2) Acute static bioassay


1-octene 13 marine bacteria Acute static bioassay EC50 > saturation level
1-decene 13 marine bacteria Acute static bioassay EC50 > saturation level
1-tetradecene (1)Pseudomonas (1)comparable to guideline (1)EC50 >1000 mg/L
fluorescens study (2)EC50 > saturation level
(2)13 marine bacteria (2)Acute static bioassay (3)Good growth w/glucose; w/out
(3)Candida sp. and (3)growth inhibition glucose: good growth in
Saccharomyces Candida; no growth in
carlsbergensis Saccharomyces

UNEP PUBLICATIONS 39
OECD SIDS HIGHER OLEFINS

Chemical Species Method Result


1-octadecene Pseudomonas 79/931/EEC, Annex V, EC50 > 1000 mg/L
fluorescens According to Degradability,
Ecotoxicity, and
Bioaccumulation, TNO,
Delft, The Netherlands, 1977
C20-24 alkenes, Sewage sludge micro- OECD 209 EC50 > 1000 mg/L at 30 min and 3
internal branched organisms hr (did not inhibit the respiration
and linear rate of activated sewage sludge)
a
Study details and references are found in the robust summaries in the dossiers.

4.2 Terrestrial Effects


There were no terrestrial toxicity studies found for the members of the Higher Olefins Category or
structural analogues.
Based on level III fugacity modelling, the estimated partitioning of these chemicals indicates that
there is a potential (increasing with chain length) to partition to the sediment and soil
compartments, if released to the environment.

4.3 Other Environmental Effects


No data available.

4.4 Initial Assessment for the Environment


The potential for exposure of aquatic organisms to members of the Higher Olefins Category will be
influenced by their physico-chemical properties. The predicted or measured water solubilities of
these olefins range from 50 mg/L at 20°C for hexene to 0.00015 mg/L at 25°C for 1-octadecene,
which suggests there is a lower potential for the larger olefins to be bioavailable to aquatic
organisms due to their low solubilities. Their vapor pressures range from 230.6 hPa at 25°C for
hexene to 0.00009 hPa at 25°C for 1-octadecene, which suggests the shorter chain olefins will tend
to partition to the air at a significant rate and not remain in the other environmental compartments
for long periods of time; while the longer chain olefins will tend to partition primarily to water, soil
or sediment, depending on water solubility and sorption behaviour. The soil adsorption coefficients
(Koc) range from 149 for C6 to 230,800 for C18, indicating increasing partitioning to soil/sediment
with increasing carbon number. Level I fugacity modeling predicts that the C6-C13 olefins would
partition primarily to air, while the C16-C18 olefins would partition primarily to soil. Results of
Level III fugacity modelling suggest that the C6 – C8 category members will partition primarily to
the water compartment; and, as the chain length increases beyond C10, soil and sediment become
the primary compartments. These chemicals have a very low potential to hydrolyze and do not
photodegrade directly. However, in the air, all members of the category are subject to atmospheric
oxidation from hydroxyl radical attack, with calculated degradation half-lives of 1.8 to 4.1 hours.
C6 – C18 olefins have been shown to degrade to an extent of approximately 8-81% in standard 28-
day biodegradation tests. These results were not clearly correlated with carbon number or any other
identifiable parameter; however, the weight of evidence shows that the members of the Higher
Olefins Category have potential for degradation in the environment. Volatilization from water is
predicted to occur rapidly (hours to days), with Henry’s Law Constants (bond method) ranging
from 0.423 (C6) to 10.7 (C18) atm-m3/mol. Consideration of these degradation processes supports
the assessment that these substances will degrade relatively rapidly in the environment and not

40 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

persist. Based on calculated bioconcentration factors, the C6, C7, C16 and C18 category members are
not expected to bioaccumulate (BCF = 46, 236, 71 and 3). Although the C8 – C13 olefins have BCFs
ranging from 659 to 748, and Kow values ranging from 4.13 to 6.59, and thus are considered to have
the potential for bioaccumulation, their physico-chemical properties and fate indicate that there
would be limited environmental exposure because of volatility, biodegradability and limited
solubility. Data indicate that acute aquatic toxicity can be observed for C6 through the C10 olefins
(C6: EC/LC50 range of 1-10 mg/L; C7-C10: EC/LC50 range of 0.1-1.0 mg/L), and that toxicity
increases with increasing carbon number within that range, which is consistent with increasing Kow
values (3.07 – 5.12). Above a chain length of 10, toxicity is not observed within the limits of
solubility. However, data indicate that chronic aquatic toxicity can be observed in the C10 olefins
(EC10 = 20.0 µg/L, EC50 = 28.1 µg/L, NOEC = 19.04 µg/L). Chronic toxicity is not expected for
C14 and higher molecular weight alpha or internal olefins, whose water solubility limits are less
than the NOEC for 1-decene. Data also suggest that aquatic toxicity does not differ with bond
location or presence of branching. Sufficient data are available to characterize the environmental
hazards of members of the Higher Olefins Category.

5 RECOMMENDATIONS
The chemicals in the Higher Olefins Category are currently of low priority for further work.
These chemicals possess hazards to human health (reversible mild skin and eye irritation; mild
respiratory tract irritation to the lower chain length members) and the environment (acute aquatic
toxicity for the C6-C10 category members and chronic aquatic toxicity for C10.) Although category
members C14 or greater have log Kow values >4.0 and are not rapidly biodegradable, they are of
low environmental hazard. They show no acute aquatic effects at their limit of solubility, and,
because they are poorly soluble, are not expected to exhibit chronic effects below the NOEC of 1-
decene. Based on exposure data presented by the sponsor country (four manufacturing sites within
the sponsor country which account for 47-64% of global production depending on category
member) and relating to use pattern in the sponsor country (primarily as industrial intermediates in
closed systems), this category is a low priority for further work. Countries may wish to investigate
any exposure scenarios that were not presented by the sponsor country.
Category Analysis: A large amount of data for mammalian and environmental endpoints on
members of the Higher Olefins Category and analogous substances (C6-C30 alpha and internal
olefins) indicates an increasing or decreasing trend or pattern, irrespective of location of double
bond, or presence or absence of branching, from the shortest to the longest olefin in the database for
various physico-chemical properties and ecotoxicity (using a mixture of experimental data and
estimation techniques), whereas there appears to be no critical difference across category members
for biodegradation and health endpoints. Thus, the use of data from structural analogues for read-
across to members of the category is appropriate, and designation of the Higher Olefins as a
category is justified.

UNEP PUBLICATIONS 41
OECD SIDS HIGHER OLEFINS

6 REFERENCES
ACGIH (American Conference of Governmental Industrial Hygienists) (2003). 2003 TLVs® and
BEIs® Based on the Documentation of the Threshold Limit Values for Chemical Substances and
Physical Agents & Biological Exposure Indices. ACGIH.
American Chemistry Council, Higher Olefins Panel (2002). Personal communications.
Baetcke KP, Hard GC, Rodgers SI, and McGaughy RE (1990). Report of the EPA Peer Review
Workshop on Alpha 2µ –Globulin Association with Renal Toxicity and Neoplasia in the Male Rat.
U.S. Environmental Protection Agency, Washington, D.C.
Brooker AJ (1999). Toxicity study by oral gavage administration to CD rats for 13 weeks followed
by a 4-week recovery period, Project Nos. CHR/052 and CHR/053. Conducted for Chevron
Research and Technology Company (unpublished report).
Brooks, T.M. (1982) Toxicity of detergents/higher olefins: In vitro genotoxicity studies on Shop
products (olefins C11 – C12 and C13 – C14, olefin HE bleed and olefin intermediate recycle).
Sittingbourne, Shell Research Limited, SBGR.81.325 (unpublished report).
Brooks, TM, Clare, MG, Wiggins, DE (1983) Toxicity studies with detergents: Genotoxicity
studies with Olefin 103 PQ/11 (Cracked Urea Wax Olefin). Shell Research Limited, SBGR.83.299
(unpublished report).
Burghardtova, K. , B. Horvathova and M. Valachova (1984) Testing of some 1-alkenes by the
method of Ames. Biologia (Bratislava), vol. 39(11):1121-1125 (in Czech.) (unpublished report).
Cavender, F (1998). Aliphatic Hydrocarbons. In: Patty’s Industrial Hygiene and Toxicology. CD-
ROM. Vol. 2B, Chapter 19. Edited by Clayton GD, Clayton FE, Cralley LJ, Cralley LV, Harris RL
and Bus JS. John Wiley & Sons, Inc., 1249.
Clubb S (2000). AmoDrill 1000 4-week toxicity study including neurotoxicity screening in rats
with administration by gavage. Inveresk Project Number 454729. Inveresk Report Number 17561.
Inveresk Research Tranent EH33 2NE. Scotland. Sponsor Amoco Corporation (unpublished
report).
Daniel EM (1995). Combined repeated dose toxicity study/reproduction/developmental toxicity
screening test in rats with 1-tetradecene. Conducted by Springborn Laboratories, Inc., Spencerville,
Ohio, Study No. 3325.2 for the Chemical Manufacturers Association, Alpha Olefins Panel.
Dean BJ. Shell Chemicals Europe Ltd. (1980). Toxicity Studies with Detergent Intermediates: In
Vitro Genotoxicity Studies with SHOP Process Intermediates. Shell Toxicology Laboratory
(Tunstall). Shell Report # TLGR.80.074 (unpublished report).
Di Toro DM, McGrath JA, and Hansen DH (2000). Technical basis for narcotic chemicals and
polycyclic aromatic hydrocarbon criteria. I. Water and Tissue. Environmental Toxicology and
Chemistry 19, 1951-1970.
Dotti A, Duback-Powell JR, Biderman K, and Weber K (1994). 4-Week oral toxicity (gavage)
study with 1-hexene in the rat. RCC Project 332695. Cited in HEDSET.
Durward R (1998) C20-24 Alkenes, Branched and Linear: Micronucleus Test in the Mouse,
SafePharm Laboratories Limited Project No. 703-121. Conducted for Chevron Research and
Technology Company (unpublished report).

42 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

Eide I, Hagerman R, Zahlsen K, Tareke E, Tornquist M, Kumar R, Vodicka P and Hemminki K


(1995). Uptake, distribution, and formation of hemoglobin and DNA adducts after inhalation of C2-
C8 1-alkenes [olefins] in the rat. Carcinogenesis. 16, 1603 - 1609.
EPIWIN (1999a). Estimation Program Interface for Windows, version unknown (used by EPA for
calculations presented in the SIAR for the C6-C14 alpha olefins approved at SIAM 11). Syracuse
Research Corporation, Syracuse, NY, USA.
EPIWIN (1999b). Estimation Program Interface for Windows, version 3.02. Syracuse Research
Corporation, Syracuse, NY, USA.
EPIWIN (2000a). Estimation Program Interface for Windows, version 3.10. Syracuse Research
Corporation, Syracuse, NY. USA.
EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI Suite™ software,
U.S. Environmental Protection Agency, Office of Pollution Prevention and Toxics, U.S.A.
Exxon Biomedical Sciences, Inc. (1991a). Alkenes, C6: Microbial Mutagenesis in Salmonella:
Mammalian Microsome Plate Incorporation Assay. Conducted by Exxon Biomedical Sciences, Inc.,
East Millstone, NJ, USA (unpublished report).
Exxon Biomedical Sciences, Inc. (1991b) Alkenes, C6: In vivo Mammalian Bone Marrow
Micronucleus Assay: Oral Gavage Method. Conducted by Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).
Exxon Biomedical Sciences, Inc. (1991c) Alkenes, C6: In vivo mammalian bone marrow
micronucleus assay: inhalation dosing method. Conducted by Exxon Biomedical Sciences, Inc.,
East Millstone, NJ, USA (unpublished report).
Exxon Biomedical Sciences, Inc. (1991d). Alkenes, C8-10, C9 Rich: Microbial Mutagenesis in
Salmonella: Mammalian Microsome Plate Incorporation Assay. Conducted by Exxon Biomedical
Sciences, Inc., East Millstone, NJ, USA (unpublished report).
Exxon Biomedical Sciences, Inc. (1991e) Alkenes, C8-10, C9 Rich: In vivo Mammalian Bone
Marrow Micronucleus Assay: Oral Gavage Method. Conducted by Exxon Biomedical Sciences,
Inc., East Millstone, NJ, USA (unpublished report).
Exxon Chemical Company (1993) Alkenes, C6-8, C7 Rich: In vivo mammalian bone marrow
micronucleus assay: Oral gavage method. Conducted by Exxon Chemical Company (unpublished
report).
ExxonMobil Biomedical Sciences, Inc. 2004. Daphnia magna Reproduction Test with 1-Decene.
Conducted by ExxonMobil Biomedical Sciences, Inc., East Millstone, NJ, USA. Study # 180446
(unpublished report).
Gingell R, Bennick JE and Malley LA (1999). Subchronic inhalation study of 1-hexene in Fischer
344 Rats. Drug and Chemical Toxicology 22(3), 507-528.
Gingell R, Daniel EM, Machado M and Beven C. (2000). Reproduction/developmental toxicity
screening test in rats with orally administrated 1-hexene. Drug and Chemical Toxicology 23 (2),
327-338.
Goode, J.W. and Brecher, S. (1983a) GULFTENE 6: BALB/3T3 transformation test, Project 2072.
Sponsored by Gulf Life Sciences Institute, Pittsburg, PA (unpublished report).
Goode, J.W. and Brecher, S. (1983b) GULFTENE 12-16: BALB/3T3 transformation test, Project
2070. Sponsored by Gulf Life Sciences Institute, Pittsburg, PA (unpublished report).

UNEP PUBLICATIONS 43
OECD SIDS HIGHER OLEFINS

Gould ES (1959). Mechanism and Structure in Organic Chemistry. Holt, Reinhart and Winston.
Gulf Life Sciences Center (1983a). Two-week repeated dose toxicity study in rats using
GULFTENE 12-16. Project No. 82-059. Conducted for Gulf Oil Chemicals Company (unpublished
report).
Gulf Life Sciences Center (1983b). Micronucleus test in mouse bone marrow: GULFTENE 6
administered by inhalation using 2 daily 2-hour treatments. Project No. 82-119 (unpublished
report).
Gulf Life Sciences Center (1983c) CHO/HGPRT Test: GULFTENE 12-16, Project 82-102.
Conducted for Gulf Oil Chemicals Company, Pittsburgh, Pennsylvania (unpublished study).
Gulf Life Sciences Center (1983d) Micronucleus Test in Mouse Bone Marrow with GULFTENE
12-16 Administered by Dermal Application for 2 Days. Gulf Oil Chemicals Company, Pittsburgh,
Pennsylvania, Sponsor (unpublished report).
Gulf Life Sciences (1984a) Hepatocyte Primary Culture/DNA Repair Test of GULFTENE 6,
project #2071 (unpublished report).
Gulf Life Sciences (1984b) Hepatocyte Primary Culture/DNA Repair Test of GULFTENE12-16,
project #2069 (unpublished report).
Hard GC, Rodgers IS, Baetcke KP, Richards WL, McGaughy RE and Valcovic LR (1993). Hazard
evaluation of chemicals that cause accumulation of alpha 2u-globulin, hyaline droplet nephropathy,
and tubule neoplasia in the kidneys of male rats. Environ. Health Perspect. 99, 313-349.
Harris JC (1982a). Rate of Aqueous Photolysis. In: Handbook of Chemical Property Estimation
Methods. Chapter 8 Edited by Lyman WJ, Reehl WF, and Rosenblatt DH. McGraw-Hill Book
Company.
Harris, J.C. (1982b) Rate of Hydrolysis. In: Handbook of Chemical Property Estimation Methods.
Chapter 7 Edited by Lyman WJ, Reehl WF, and Rosenblatt DH. McGraw-Hill Book Company.
Hazleton Laboratories America, Inc. (1982a). Neohexene: Salmonella typhimurium mammalian
microsome plate incorporation assay. Conducted by Hazleton Laboratories America, Inc., for
Phillips Petroleum Company (unpublished report).
Hoekstra WG and PH Phillips (1963). Effects of topically applied mineral oil fractions on the skin
of Guinea pigs. J. Invest. Derm. 40(2):79-88.
Huntingdon Research Center (1990a) 1-Hexene: Bacterial Mutation Assay. Sponsored by Ethyl
(unpublished report).
Huntingdon Research Center (1990b) 1-Hexene in Vitro Mammalian Cell Gene Mutation Assay
(TK+/-). Sponsored by Ethyl (unpublished report).
Huntingdon Research Center (1990c). 1-Hexene: Metaphase chromosome analysis of human
lymphocytes cultured in vitro. Sponsored by Ethyl (unpublished report).
Mackay D (1991). Multimedia Environmental Models: The Fugacity Approach. Lewis Publishers
Inc., CRC Press, 67-183.
Mackay D, Di Guardo A, Paterson S, Kicsi G, and Cowan CE (1996a). Assessing the fate of new
and existing chemicals: a five-stage process. Environ. Toxicol. Chem. 15(9), 1618-1626.
Mackay D, Di Guardo A, Paterson S, and Cowan CE (1996b). Evaluating the environmental fate of
a variety of types of chemicals using the EQC model. Environ. Toxicol. Chem. 15(9), 1627-1637.

44 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

Maynert EW, Foreman RL and Watabe T (1970). Epoxides as obligatory intermediates in the
metabolism of olefins to glycols. J. Biol. Chem, 245, 5234-5238.
McCarty LS and Mackay D (1993). Enhancing ecotoxicological modeling and assessment.
Environmental Science and Technology 27, 1719-1728.
McCarty LS, Mackay D, Smith AD, Ozburn GW, and Dixon DG (1991). Interpreting aquatic
toxicity QSARs: The significance of toxicant body residues at the pharmacologic endpoint. In:
WSAR in Environmental Toxicology - IV. Edited by Hermens JLM and Opperhuizen J. Elsevier.
Neely WB (1985). Hydrolysis. In: Environmental Exposure from Chemicals. Volume I.Edited by
Neely WB and Blau GE. CRC Press, 157-173.
NLM (2003a). TRI (Toxic Release Inventory). U.S. National Library of Medicine, Specialized
Information Services, National Institutes of Health, Department of Health and Human Services.
September 2003 (http://toxnet.nlm.nih.gov)
.NLM (2003b). Household Products Database. U.S. National Library of Medicine, Specialized
Information Services, National Institutes of Health, Department of Health and Human Services.
September, 2003. (http://toxnet.nlm.nih.gov).
OECD (2002). Manual for Investigation of HPV Chemicals, Chapter 3: Data Evaluation. OECD
Secretariat, November, 2002. Website: http://www.oecd.org/dataoecd/60/46/1947501.pdf
Oesch F (1973). Mammalian epoxide hydrases: inducible enzymes catalysing the inactivation of
carcinogenic and cytotoxic metabolites derived from aromatic and olefinic compounds. Xenobiotica
3(5), 305-340.
Ortiz de Montellano PR and Mico BA (1980). Destruction of cytochrome P-450 by ethylene and
other olefins. Molec. Pharmacol. 18, 128-135.
Pitter P and Chudoba J (1990). Biodegradability of Organic Substances in The Aquatic
Environment, CRC Press.
Research Institute of Organic Synthesis a.s (1990) Pardubice, Czech Republic, Report No. T2129
(unpublished report).
Schulte-Hermann R (1974). Induction of liver growth by xenobiotic compounds and other stimuli.
Crit. Rev. Toxicol. 3, 97-158.
Shell Development Company (1983a) In Vitro Chromosome Aberration Assay in Chinese Hamster
Cells of NEODENE 6 Alpha Olefin, WTP-126 (unpublished report).
Shell Development Company, Westhollow Research Center (1983b) Assay of NEODENE-8 Alpha
Olefin for Gene Mutation in Salmonella typhymurium (unpublished report).
Shell Development Company, Westhollow Research Center (1983c) In Vitro Chromosome
Aberration Assay in Chinese Hamster Cells of NEODENE 8 Alpha Olefin (unpublished report).
Shell Development Company, Westhollow Research Center (1983d) Cell Transformation Assay of
NEODENE-8 Alpha Olefin in the Absence and Presence of Microsomal Activation. Performed at
Litton Bionetics, Inc., (unpublished report).
Shell Development Company (1984). In vitro destruction of hepatic cytochrome P-450 and heme
by NEODENE 6 Alpha Olefin, WRC-814 (unpublished report).
Shell Oil Company (1992a). Evaluation of primary irritation potential of Neodene 18 in humans.
Single 24 hour application. Report 92-1388-70A (unpublished report).

UNEP PUBLICATIONS 45
OECD SIDS HIGHER OLEFINS

Shell Oil Company (1992b). Repeated insult patch test of Neodene 18 in humans. Report 92-1388-
70B (unpublished report).
Sipes IG and Gandolfi AJ (1991). Biotransformation of toxicants. In (1991). Cassarett and Doull’s
Toxicology. 4th ed. Edited by Amdur MO, Soull J, and Klassen CD. Pergammon Press, 88-126.
SRI (2000). Chemical Economics Handbook. SRI International. Menlo Park, CA. September 2000.
SRI (2001). Chemical Economics Handbook. SRI International. Menlo Park, CA. August 2001.
Swann RL, Laskowshi DA, McCall PJ, Vander-Kuy K and Disburger HJ (1983). A rapid method
for the estimation of the environmental parameters octanol/water partition coefficient, soil sorption
constant, water to air ratio and water solubility. Residue Reviews 85, 17-28.
Thompson PW (1998). C20-24 Alkenes, Branched and Linear: Salmonella typhimurium and
Escherichia coli/Mammalian-Microsome Reverse Mutation Assay, SafePharm Laboratories Limited
Project No. 703/086. Conducted for Chevron Research and Technology Company (unpublished
report).
Thorsrud BA (2003a). A combined repeated dose toxicity study and reproduction/developmental
screening study in Sprague Dawley rats with (C6) alkenes. Report No. 3604.2. Conducted by
Springborn Laboratories, Spencerville, OH, for American Chemistry Council Higher Olefins Panel
(unpublished study).
Thorsrud BA (2003b). An oral (gavage) reproduction/ developmental toxicity screening study in
Sprague Dawley rats with (C18) Octadecenes. Report No. 3604.1. Conducted by Springborn
Laboratories, Spencerville, OH, for American Chemistry Council Higher Olefins Panel
(unpublished study).
Til HP et al. (1986). Sub-chronic (90-day) oral toxicity study with octene-1 in rats. Conducted by
Civo Institutes TNO, Report No. V86.408/251091 for DSM, Beek, the Netherlands, Project No.
B85-1091 (unpublished report).
Trent University (2004). Level I Fugacity-based Environmental Equilibrium Partitioning Model
(Version 3.00) and Level III Fugacity-based Multimedia Environmental Model (Version 2.80.1).
Environmental Modeling Centre, Trent University, Peterborough, Ontario. (Available at
http://www.trentu.ca/cemc)
US EPA (1999a). Determining the Adequacy of Existing Data. OPPT, EPA.(found at
www.epa.gov/chemrtk/guidocs.htm)
US EPA (1999b). The Use of Structure-Activity Relationships (SAR) in the High Production
Volume Chemicals Challenge Program. OPPT, EPA. (found at www.epa.gov/chemrtk/guidocs.htm)
Van Wezel AP and Opperhuizen A (1995). Narcosis due to environmental pollutants in aquatic
organisms: residue-based toxicity, mechanisms, and membrane burdens. Critical Reviews in
Toxicology 25, 255-279.
Verbruggen EMJ, Vaes WJJ, Parkerton TF and Hermens JLM (2000). Polyacrylate-coated SPME
fibers as a tool to simulate body residues and target concentrations of complex organic mixtures for
estimation of baseline toxicity. Environmental Science and Technology 34, 324-331.
Watabe T and Maynert EW (1968). Pharmacolgist 10,203 as cited in Watabe, T. and N. Yamada
(1975). The biotransformation of 1-hexadecene to carcinogenic 1,2-epoxyhexadecane by hepatic
microsomes. Biochemical Pharmacology 24, 1051-1053.
Watabe T and Yamada N (1975). The biotransformation of 1-hexadecene to carcinogenic 1,2-
epoxyhexadecane by hepatic microsomes. Biochemical Pharmacology 24, 1051-1053.

46 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS

Wilmer, J.W.G.M. (1986) Chromosome Analysis of Chinese Hamster Ovary Cells Treated in Vitro
with 1-Octene. Conducted by Civo Institutes TNO, Report No. V 86.168/251124, for DSM, Geleen,
the Netherlands, Project No. B 85-1124 (Unpublished report).
Wright NP (1998) C20-24 Alkenes, Branched and Linear: Chromosome Aberration Test in Human
Lymphocytes In Vitro, SafePharm Laboratories Limited Project No. 703/122. Conducted for
Chevron Research and Technology Company (unpublished report).
Zahlsen K, Eide I, Nilsen AM and Nilsen OG (1993). Inhalation kinetics of C8-C10 1-alkenes and
iso-alkanes in the rat after repeated exposures. Pharmacology & Toxicology 73, 163-168.

NOTE: References for studies cited in the SIAR are included in this report. However, the SIDS Dossier provides a
comprehensive listing of references.

UNEP PUBLICATIONS 47
OECD SIDS HIGHER OLEFINS

Annex to SIAR

Table 1 Calculated environmental fate and transport of the Higher Olefins Category members a
Chemical WWTPb Distribution Distribution Henry’s Law Organic/carbon Atmospheric oxidation Volatilization
% fugacity level IIIc fugacity level Id Constant partition coefficient T1/2 from water T1/2
removal (Constant loading) (Equilibrium) (atm-m3/mole)e (Koc)

Hexene >99% Air = 2.9% Air = 100% 0.423 (B) 149 -OH = 2.2 hrs [cis] River = 0.9 hrs
Water= 90.6% Water = <1% 0.370 (G) -OH = 1.9 [trans] Lake = 3.6 days
Soil= 5.8% Soil = < 1% 0.383 (U) O3 = 2.1 hrs [cis]
Sediment= <1% Sediment = <1% O3 = 1.4 hrs [trans]
Heptene >99 % Air = 7.7% Air = 100% 0.476 (B) 275 -OH = 4.1 hrs River = 1.0 hrs
Water= 79.5% Water = <1% 0.756 (G) O3 = 22.9 hrs Lake = 3.9 days
Soil= 11% Soil = < 1% 0.538 (U)
Sediment= 1.6% Sediment = <1%
Octene >99 % Air = 7.4% Air = 100% 0.632 (B) 507 -OH = 3.9 hrs River = 1.1 hrs
Water= 69.2% Water = <1% 1.07 (G) O3 = 22.9 hrs Lake = 4.2 days
Soil= 17.4% Soil = < 1% 0.667 (U)
Sediment= 5.9% Sediment = <1%
Nonene >99 % Air = <1% 0.99 (B) 935 -OH = 2.0 hrs [cis] River = 1.1 hrs
Air = 99%
Water= 41.2% 1.04 (G) -OH = 1.8 hrs [trans] Lake = 4.4 days
Water = <1%
Soil= 52.6% 0.241 (U) O3 = 2.1 hrs [cis]
Soil < 1%
Sediment= 5.2% O3 = 1.4 hrs [trans]
Sediment = <1%

Decene >99 Air = 1.3% Air = 98.1% 1.11 (B) 1724 -OH = 3.6 hrs River = 1.2 hrs
Water= 19.3% Water= <1% 2.13 (G) O3 = 22.9 hrs Lake = 4.7 days
Soil= 36.3% Soil=1.82% 1.17 (U)
Sediment= 43% Sediment=<1% 2.68[1-decene]
(m)

48 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS
Chemical WWTPb Distribution Distribution Henry’s Law Organic/carbon Atmospheric oxidation Volatilization
% fugacity level IIIc fugacity level Id Constant partition coefficient T1/2 from water T1/2
removal (Constant loading) (Equilibrium) (atm-m3/mole)e (Koc)

Dodecene >99% Air = <1% Air = 89% 1.96 (B) 5864 -OH = 3.3 hrs River = 1.3 hrs
Water= 13% Water = <1% 4.25 (G) O3 = 22.9 hrs Lake = 5.1 days
Soil= 33.9% Soil = 10.3% 0.475 (U)
Sediment= 52.5% Sediment =<1%
Alkenes, C10- >99% Air = 1.3 – <1% Air = 98.1 – 79.9% 1.11 – 2.61 (B) 1724 – 10,800 -OH = 3.6 – 3.2 hrs River = 1.2– 1.4
13 Water= 19.3 – 9.8% Water= <1% 2.13 – 6.00 (G) O3 = 22.9 hrs hrs
[values shown Soil= 36.3 – 26.8% Soil=1.82 – 19.6% 1.17 – 0.686 (U) Lake = 4.7– 5.3
are for C10 and days
Sediment= 43 – 63% Sediment=<1%
C13]

1-Hexadecene 95% Air = <1% Air = 9.6% 6.1 (B) 67,900 -OH = 2.9 hrs River = 1.5 hrs
Water= 7.9% Water = <1% 16.9 (G) O3 = 22.9 hrs Lake = 5.9 days
Soil= 22.4% Soil = 88.4% 0.541 (U)
Sediment= 69.4% Sediment = 2%
1-Octadecene 95% Air = <1 Air = <1% 10.7 (B) 230,800 -OH = 2.7 hrs River = 1.6 hrs
Water= 7.9% Water = <1% 33.8 (G) O3 = 22.9 hrs Lake = 6.3 days
Soil= 22.3% Soil = 97.5% 0.149 (U)
Sediment= 69.6% Sediment = 2.2%
a
All values calculated using EPIWIN, v.3.11 (EPIWIN, 2000b), except as noted. Physico-chemical values shown in Table 2 were entered into EPIWIN program and in
Trent University fugacity calculations. Calculations used CAS number input and associated alpha olefin structures except for those for hexene and nonene which used
structures for 2-hexene and 2-nonene.
b
WWTP = Waste Water Treatment Plant
c
Level III Model, Trent University (Trent University, 2004). Partitioning reflects constant loading to air, water and soil compartments (1000 kg/hr to each). Values for
environmental half-lives were taken from EPIWIN results.
d
Level I Model, Trent University (Trent University, 2004). Partition reflects equilibrium among all compartments.
e
Henry’s Law Constant estimated using EPIWIN. Estimates are provided using Bond (B) method, Group (G) method, and User- or EPIWIN-supplied (U) vapor pressure
and water solubility.

UNEP PUBLICATIONS 49
OECD SIDS HIGHER OLEFINS

Table2: Health effects (SIDS endpoints) for Higher Olefins Category members and analogues/surrogatesa

Carbon Acute Toxicity Repeated Dose Mutagenicity In Vitro Mutagenicity Repro/Dev


Number In Vivo

C6 1-hexene and neohexene: alkenes, C6 (internal alkenes, C6 (internal alkenes, C6 (internal alkenes, C6 (internal
Oral: Rat LD50>5.6 g/kg [1- branched/linear stream): branched/linear stream): branched/linear stream) branched /linear stream):
hexene]; >5 g/kg [neohexene] Rat oral OECD 422; dosed at S. typhimurium, OECD 471, and 1-hexene: Rat oral OECD 422; dosed at
All studies
appear in 0, 100, 500, 1000 mg/kg/day; negative with and w/out Mouse Bone Marrow 0, 100, 500, 1000 mg/kg/day;
the hexene NOAEL = 1000 mg/kg/day; activation micronucleus, OECD NOAEL = 1000 mg/kg/day
Inhalation: Rat LC50 (4hr) =
dossier NOEL = 100 mg/kg/day 474 (inhln); negative at (reproductive and
110 mg/L (32,000 ppm, nom)
(females, kidney effects); not 0, 3.44, 34.42, 86.05 (0, developmental toxicity)
[1-hexene]; >176 mg/L 1-hexene:
determined for males due to 1000, 10000 and 25000
(51,000 ppm) [neohexene] S. typhimurium, OECD 471;
kidney and adrenal effects. ppm) [1-hexene] and
Mouse Lymphoma, OECD 1-hexene:
3.64 mg/L (1057 ppm)
Dermal: Rabbit LD50 >2 g/kg 476, Mammalian Cell gene [Alkenes, C6] Rat; OECD 421; oral dosed
1-hexene: mutation ; CHO and Human at 0, 100, 500, and 1000
[1-hexene]
Rat, 90-day inhalation OECD lymphocytes-Metaphase mg/kg/day; NOEL>1000
413; exposed to 0, 1.03, 3.44, Chromosome Analysis, alkenes, C6 (internal mg/kg/day
10.33 mg/L (0, 300, 1000, OECD 473. All negative branched/linear stream): (reproductive/developmental
3000 ppm); NOEL= 3.44 mg/L with and w/out activation Mouse Bone Marrow toxicity)
(1000 ppm) (reduced micronucleus, OECD
bodyweight [females] and 474 (oral); weakly
UDS-rat hepatocyte; OECD 1-hexene:
questionable organ weight positive at 5 g/kg
482 w/out repeat assay; Rat; OECD 413; 90-day
changes);
Negative inhalation exposed to 0, 1.03,
3.44, 10.33 mg/L (0, 300,
Rat, 28-day gavage OECD 1000, 3000 ppm); NOEL =
BALB/3T3 transformation:
407; dosed at 0, 10, 101, 1010, 3.44 mg/L (1000 ppm)
Negative
3365 mg/kg/day; NOEL=101 (questionable increases in
mg/kg/day (kidney effects - testes weights)
males); 1010 mg/kg/day neohexene:
(gastric effects and spleen S. typhimurium, OECD 471
weight – females) w/out repeat assay and CHO
SCE, OECD 479, negative
Rat oral OECD 421; dosed at with and w/out activation
0, 100, 500, 1000 mg/kg/day;

50 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS
Carbon Acute Toxicity Repeated Dose Mutagenicity In Vitro Mutagenicity Repro/Dev
Number In Vivo

NOEL <100 mg/kg/day for


males (kidney effects); 1000
mg/kg/day for females
C7 alkenes, C6-8, C7 rich alkenes, C6-8, C7 rich
(internal stream): (internal stream):
All studies Inhalation: Rat, mouse and Mouse Bone Marrow
appear in guinea pig LC50 (6hr) >42.3 micronucleus, EPA OTS
the heptene mg/L (10,533 ppm) 798.5395; (oral);
dossier negative at 1.25, 2.5 and
5 g/kg
Dermal: Rabbit LD50 >3160
mg/kg (24 hr)
C8 1-octene and alkenes, C7-9, 1-octene: 1-octene:
C8 rich internal stream: Rat, 90 day oral (gavage) S. typhimurium Ames Test
All studies Oral: Rat LD50>5 g/kg [1- dosing at 0, 5, 50 or 500 and BALB/c-3T3
appear in octene]; >5g/kg [alkenes, C7- mg/kg/day; NOEL = 50 transformation: Negative
the octene 9, C8 rich internal stream] mg/kg/day (between 50 and with and w/out activation
dossier 500, probably only slightly
less than 500) (increased
Inhalation: Rat LC50 (4 hr) = Two CHO chromosome
kidney weights and decreased
36.9 mg/L (8,050 ppm, nom) abberrations tests; one was
plasma chloride in both sexes);
[1-octene]; rat and mouse negative with and w/out
LOEL = 500 mg/kg/day
LC50 (6 hr) > 31.7 mg/L activation and the other had
(6900 ppm) and guinea pig questionable results with
LC50 (6 hr) < 31.7 mg/L activation; (aberration rate
(6900 ppm) [alkenes, C7-9, increased approx 2-fold over
C8 rich internal stream] background, but no dose
response) and was negative
w/out activation.
Dermal: Rabbit LD50 > 1.43
g/kg (24 hr) [1-octene]; >3.16
g/kg (24 hr) [alkenes, C7-9,
C8 rich internal stream]

UNEP PUBLICATIONS 51
OECD SIDS HIGHER OLEFINS
Carbon Acute Toxicity Repeated Dose Mutagenicity In Vitro Mutagenicity Repro/Dev
Number In Vivo

C9 alkenes, C8-10, C9 rich alkenes, C8-10, C9 rich alkenes, C8-10, C9 rich


(internal stream): (internal stream): (internal stream):
All studies Oral: Rat LD50>2332 mg/kg S. typhimurium EPA OTS Mouse Bone Marrow
appear in 798.5265: Negative with and micronucleus, EPA OTS
the nonene w/out activation 798.5395 (oral);
Inhalation: rat, mice, guinea
dossier negative at doses of
pig LC50 (6 hr) > 11.1 mg/L
1.25, 2.5 and 5 g/kg
(2150 ppm)

Dermal: Rabbit LD50 >2332


mg/kg (24 hr)
C10 1-decene: 1-decene:
Oral: Rat LD50>10g/kg S. typhimurium; OECD 471;
All studies Negative with and w/out
appear in activation
Inhalation: Rat LC50
the decene >saturation conc. for 1 and 4
dossier hr exposures at saturation of
9.3 and 8.7 mg/L (1621 and
1516 ppm)

Dermal: Rabbit LD50 >10


g/kg (24 hr)
C10-13 C10-13 internal olefins: C10-13 internal olefins:
Oral: Rat LD50>7.74g/kg S. typhimurium and E. Coli
All studies Inhalation: Rat LC50 >2.1 Ames Test; Negative with
appear in mg/L (~305 ppm) (saturation and w/out activation
the alkenes, conc.) for 4 hr exposure
C10-13 Dermal: Rat LD50 >3080 Chromosome aberration test
dossier mg/kg (24 hr) with rat liver RL1 cells:
Negative
C13 internal olefin:
Oral: LD50>5 g/kg
Dermal: Rat LD50 > 2 g/kg

52 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS
Carbon Acute Toxicity Repeated Dose Mutagenicity In Vitro Mutagenicity Repro/Dev
Number In Vivo

C12 1-dodecene; C12, 14, 16 C12, 14, 16 linear AO blend: 1-dodecene; C12, 14, 16 C12, 14, 16 linear AO
linear AO blend; and alkenes, Dermal: Rat; 9 applications (6 linear AO Blend; and C11-12 blend:
C11-13, C12 rich: hr) over 2 wk period of 1 or 2 AO blend: Mouse Micronucleus
All studies
appear in Oral: Rat LD50 >10g/kg [1- g/kg/day; severe irritation and S. typhimurium and E.coli Bone Marrow Test
the dodecene]; >7.74 g/kg decrease in body and organ Ames Test [1-dodecene]; (dermal); No remarkable
dodecene [alkenes, C11-13, C12 rich weights seen with 2 g/kg/day; CHO/HGPRT [C12, C14, clinical findings-
dossier internal stream] slight irritation seen with 1 C16 linear AO blend]; S. negative at doses of
g/kg; NOAEL (systemic) = 1 cerevisiae Mitotic Gene 1000, 2500 and 5000
g/kg/day conversion Assay [C11-12 mg/kg for 2 days
Inhalation: Rat LC50 (1hr)
AO blend]: All negative with
>9.9 mg/L (1438 ppm) [C12,
and w/out activation
14, 16 linear AO blend]; rat,
mouse and guinea pig LC50
(6 hr) > 4.4 mg/L (639 ppm) Chromosome aberration test
[alkenes, C11-13, C12 rich with rat liver RL1 cells [1-
internal stream] dodecene]; BALB/3T3
Mouse embryo
transformation and UDS
Dermal: Rabbit LD50 > 10
[C12, 14, 16 linear AO
g/kg (24 hr)[C12-16 AO
blend]: All negative
blend] and rat >10 g/kg (24
hr)[1-dodecene]; rabbit LD50
>2446 mg/kg (24 hr) [alkenes,
C11-13, C12 rich internal
stream]
C14 1-tetradecene: C12, 14, 16 linear AO blend: C12, 14, 16 linear AO 1-tetradecene:
C12-14 AO blend [summary Combined OECD 422; rat; UDS (rat hepatocyte), CHO blend: Rat; Modified OECD 422;
All studies found in dodecene dossier], gavage dosed at 0, 100, 500 or HGPRT and BALB/3T3 Mouse Micronucleus gavage at 0, 100, 500 or 1000
appear in C14-16 AO blend, and C12, 1000 mg/kg/day for up to 51 transformation: Negative Assay (dermal); mg/kg/day for up to 51 days;
the hexa- 14, 16 linear AO blend: days. NOEL = 100 mg/kg/day Negative at doses of NOAEL (reproductive and
decene Oral: Rat LD50 >10g/kg for females(liver effects); no 1000, 2500 and 5000 developmental toxicity) =
dossier, [C12-14, C14-16 AO blends] NOEL for males due to kidney mg/kg for 2 days. 1000 mg/kg/day
unless effects
otherwise
Inhalation: Rat LC50 (1hr)
noted C12, 14, 16 linear AO blend:
>9.9 mg/L (1438 ppm) [C12,
14, 16 linear AO blend] Dermal: Rat; 9 applications (6

UNEP PUBLICATIONS 53
OECD SIDS HIGHER OLEFINS
Carbon Acute Toxicity Repeated Dose Mutagenicity In Vitro Mutagenicity Repro/Dev
Number In Vivo

hr) over 2 wk period of 1 or 2


Dermal: Rabbit LD50 >10 g/kg/day; severe irritation and
g/kg (24 hr) [C12-14 and decrease in body and organ
C14-16 AO blends] weights seen with 2 g/kg/day;
slight irritation seen with 1
g/kg; NOAEL (systemic) = 1
g/kg/day

C16 1-hexadecene and C16 C16/18 internal linear and 1-hexadecene: 1-hexadecene: C16/18 internal linear and
internal linear and branched: branched: OECD 471, S. typhimurium: OECD 474, Mouse branched:
All studies Oral: Rat LD50 >10g/kg [1- Oral: OECD 407; rat; dosed at Negative with and w/out Micronucleus Assay Oral: OECD 407; rat; dosed
appear in hexadecene] and >5050 0, 25, 150 or 1000 mg/kg/day activation (oral); Negative at 7.85 at 0, 25, 150 or 1000
the hexa- mg/kg [C16 internal linear for up to 4 wks. NOAEL = g/kg (only dose mg/kg/day for up to 4 wks;
decene and branched] 1000 mg/kg/day administered). NOAEL for reproductive
C12, 14, 16 linear AO blend:
dossier effects from limited data
UDS (rat hepatocyte), CHO (effect on reproductive
Inhalation: Rat LC50 = 6.4 C12, 14, 16 linear AO blend: HGPRT and BALB/3T3 C12, 14, 16 linear AO
organs) = 1000 mg/kg/day
mg/L (693 ppm) (4hr) and Dermal: Rat; 9 applications (6 transformation: Negative blend:
>8.5 mg/L (926 ppm) (1 hr) hr) over 2 wk period of 1 or 2 Mouse Micronucleus
[1-hexadecene] g/kg/day; severe irritation and Assay (dermal);
decrease in body and organ Negative at doses of
Dermal: Rabbit LD50 >2020 weights seen with 2 g/kg/day; 1000, 2500 and 5000
mg/kg (24 hr) [C16 internal slight irritation seen with 1 mg/kg for 2 days.
linear and branched] g/kg; NOAEL (systemic) = 1
g/kg/day

C18 various AO blends and C18 1-octadecene: C18 internal linear and
internal linear and branched: C16/18 internal linear and S. cervisiae Mitotic gene branched:
All studies Oral: Rat LD50 >10g/kg branched: conversion and S. Oral: OECD 421; rat; dosed
appear in [C14-18 AO blend, C18-26 Oral: OECD 407; rat; dosed at typhimurium and E. coli at 0, 100, 500 and 1000
the octa- AO blend, C18-24 AO blend] 0, 25, 150 or 1000 mg/kg/day Ames Test with and w/out mg/kg/day; NOAEL
decene and >5050 mg/kg [C18 for up to 4 wks. NOAEL = activation; Chromosome (reproductive/developmental
dossier internal linear and branched] 1000 mg/kg/day aberration test with Rat toxicity) = 1000 mg/kg /day
Liver RL1 cells: Negative

54 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS
Carbon Acute Toxicity Repeated Dose Mutagenicity In Vitro Mutagenicity Repro/Dev
Number In Vivo

Dermal: Rabbit LD50 >10 C18 internal linear and C16/18 internal linear and
g/kg (24 hr) [C18-24 AO branched: branched:
blend, C18-26 AO blend] and Oral: OECD 421; rat; dosed at Oral: OECD 407; rat; dosed
>2020 mg/kg (24 hr) [C18 0, 100, 500 and 1000 at 0, 25, 150 or 1000
internal linear and branched] mg/kg/day; NOAEL (general mg/kg/day for up to 4 wks;
toxicity – limited endpoints) = NOAEL for reproductive
1000 mg/kg /day effects from limited data
(effect on reproductive
organs) = 1000 mg/kg/day

C20-24 C20-24 linear AO and C20-24 C20-24 internal linear and C20-24 internal linear and C20-24 internal linear C20-24 internal linear and
internal linear and branched: branched: branched: and branched: branched:
All studies Oral: Rat LD50 >5 g/kg OECD 408; rat gavage dosed S. typhimurium and E. coli OECD 474 Mouse Oral: OECD 408; rat; dosed
appear in [C20-24 linear AO, C20-24 at 0, 100, 500 or 1000 OECD 471; and OECD 473 Micronucleus Assay at 0, 100, 500 or 1000
the octa- internal linear and branched] mg/kg/day for 90 days with 4- Chromosome aberrations test (i.p.): Negative at doses mg/kg/day for 90 days with a
decene and >15 g/kg [C20-24 linear wk recovery group. NOAEL = with human lymphocytes: of 500, 1000 and 2000 4-wk recovery group; NOEL
dossier AO] 1000 mg/kg/day; NOEL = 100 Negative with and w/out mg/kg/day for reproductive effects from
mg/k/day for males (glucose); activation limited data (effect on
NOEL = 500 mg/kg/day for reproductive organs) = 1000
Dermal: rat LD50 >5 ml/kg
females (liver weight and mg/kg/day
(24 hr) [C20-24 linear AO]
adrenal hypertrophy)
and >2 g/kg [C20-24 internal
linear and branched]
a
Study details and references are found in the robust summaries in the dossiers.

UNEP PUBLICATIONS 55
OECD SIDS HIGHER OLEFINS
Table 2a: Irritation and sensitization data for Higher Olefins Category members and analogues/surrogatesa
Carbon Endpoint
Number
Skin Irritation Eye Irritation Sensitization
C6 1-hexene: 1-hexene: 1-hexene:
OECD 404 [except that exposure was 24 hrs, OECD 405 [3 male and female unwashed, 3 OECD 406 – Buehler; guinea pig;
occlusive dressing was used and skin was male washed]; rabbit; Max individual animal negative
evaluated only at 24 and 72 hrs]; rabbit; Draize Draize (1 hr) = 8/110
score = 0.975/8 Max. Avg Draize (1 hr) = 5.0/110 (unwashed) C6-8 internal olefins:
Max. Avg Draize (1 hr) = 5.3/110 (washed) OECD 406 – Magnusson and
OECD 404; rabbit; Draize = 0; not an irritant Kligman; guinea pig; negative
C6-8 internal olefins:
C6-8 internal olefins: OECD 405 [3 rabbits]; scores for redness at 24
OECD 404; rabbit; semi-occlusive; very slight hr = 2, 1, 1; at 48 hr = 1 ,0, 0; at 72 hr = 0; all
to slight erythema and edema (max. score = 2 other scores were zero
at 48 hrs)

C7 alkenes, C6-8, C7 rich: alkenes, C6-8, C7 rich: No data


Rabbit; 24 hr exposure, abraded skin, occlusive Rabbit; max. total Draize score = 15
dressing; at 200 mg/kg, max. scores were 2.0
for erythema and 1.5 for edema (cleared by day
14); at 3160 mg/kg, max. scores were 3.0 for
erythema and 2.3 for edema (persisted to day
14); irritant under these extreme testing
conditions

56 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS
Carbon Endpoint
Number
Skin Irritation Eye Irritation Sensitization
C8 1-octene: 1-octene: 1-octene:
OECD 404; rabbit; PII = 4.2/8.0 (4-hr US FHSA method; rabbit; mean Draize score Buehler; guinea pig; negative
exposure); mean 24-72 hr score = 2.28 for (unwashed) = 3.0/110 at 1 hr; 0.3 at 24 hr; 0.0
erythema; max. score for edema = 1.83 thereafter; (washed) = 4.7/110 at 1 hr , 0.0
C6-8 internal olefin:
thereafter
Magnusson and Kligman; guinea pig;
OECD 404; rabbit; semi-occluded; PII = negative
3.42/8.0; mean 24-72 hr scores = 1.9 for alkenes, C7-9, C8 rich:
erythema and 1.1 for edema (4-hr exposure) Rabbit; max. total Draize score = 4; conjunctival
irritation cleared by 24 hr
alkenes, C7-9, C8 rich:
Rabbit; 24 hr exposure, abraded skin; at 200 C6-8 internal olefin:
and 3160 mg/kg; severe irritation observed OECD 405; rabbit; very slight to slight
conjunctival irritation cleared by 72 hr
C9 alkenes, C8-10, C9 rich: alkenes, C8-10, C9 rich: No data
Rabbit; 24 hr exposure, occlusive dressing; at Rabbit; max. total Draize score = 6; mild
73.8, 233, 738 and 2332 mg/kg; mild erythema conjunctival irritation cleared by 24 hr
observed

C10 1-decene: 1-decene: No data


OECD 404; rabbit; semi-occluded; PII = OECD 405; rabbit; mean Draize score = 0.7/110
3.67/8.0; mean 24-72-hr scores = 2.0 for at 24 hr; 0.3 at 48 hr; 0 at 72 hr; max. individual
erythema and 1.7 for edema (4-hr exposure score = 2/110 at 24 hr

US TSCA 40 CFR 798.4470; rabbit; occluded; Rabbit; Draize score = 0.0; mean 24-72-hr scores
irritation persisted at day 7 in 4/6 animals; PII for corneal opacity, iritis, conjunctival redness,
= 5.3 and conjunctival chemosis were 0, 0, 0.2, and 0,
respectively
C10-13 C13 internal olefin: C10-13 internal olefins: C10-13 internal olefins:
US TSCA C40 CFR 798.4470; rabbit; Rabbit; mean Draize score = 0.9/110 at 24 hr; Magnusson and Kligman
occluded; PII = 3.5/8.0 0.1 at 48 hr; 0 at 72 hr maximization; guinea pig; negative

UNEP PUBLICATIONS 57
OECD SIDS HIGHER OLEFINS
Carbon Endpoint
Number
Skin Irritation Eye Irritation Sensitization
C12 1-dodecene: 1-dodecene: C12-16 alpha olefins:
OECD 404; rabbit; semi-occluded; PII = Rabbit; Draize score = 2.5/110 Modified Landsteiner method; guinea
4.67/8.0; mean 24-72-hr scores = 2.2 for pig; negative
erythema and 2.4 for edema (4-hr exposure);
alkenes, C11-13, C12 rich:
moderate to severe erythema and slight to
severe edema; reversible on day 14 Rabbit; max. total Draize score =10; very slight
irritation in washed and unwashed eyes; cleared
by 24 hr
alkenes, C11-13, C12 rich:
Rabbit; 24 hr exposure, occlusive dressing; at
77.4, 245, 774 and 2446 mg/kg; slight
erythema at all doses cleared by 72 hr; slight
edema at high dose which cleared by 48 hr; all
signs cleared by day 12

C16 1-hexadecene: 1-hexadecene: 1-hexadecene:


OECD 404; rabbit; semi-occluded; PII = OECD 405; rabbit; mean Draize score = 1.3/110 Buehler; guinea pig; negative
2.46/8.0; mean 24-72-hr scores = 1.3 for at 24 hr; 0.3 at 48 hr; 0 at 72 hr; mean 24-72-hr
erythema and 0.9 for edema (4-hr exposure) scores for corneal opacity, iritis, conjunctival
C16-18 internal linear and branched:
redness, and conjunctival chemosis were 0, 0,
0.3, and 0, respectively Buehler; guinea pig; negative
C16-18 internal linear and branched:
OECD 404 except only 3 animals; rabbit; semi-
C16-18 internal linear and branched: C12-16 alpha olefins:
occluded; PII = 2.2/8.0; mean 24-72-hr scores
[for each animal] = 1.3, 2.0, 1.3 for erythema OECD 405 except only 3 animals; rabbit; mean Modified Landsteiner method; guinea
and 0.0, 0.3, 0.3 for edema (4-hr exposure) Draize score = 2.0/110 at 24 hr; mean 24-72-hr pig; negative
scores for each animal were 0 for corneal opacity
and iritis, 0.0, 0.33, 0.33 for conjunctival
1-hexadecene:
redness, and 0.0, 0.33, 0.0 for conjunctival
Dermal: guinea pig; 4 exposures in 8 days; chemosis
evaluated for 20 days after first exposure;
treated site not covered or cleaned between
applications; max. score of 8/8; severely
irritating

58 UNEP PUBLICATIONS
OECD SIDS HIGHER OLEFINS
Carbon Endpoint
Number
Skin Irritation Eye Irritation Sensitization
C18 1-octadecene: C18-24 alpha olefin: 1-octadecene:
OECD 404; rabbit; semi-occluded; PII = USA 16 CFR 1500.42 method; rabbit; mean Buehler; guinea pig; negative
2.29/8.0; mean 24-72-hr scores = 1.5 for Draize score = 4.67/110 at 24 hr; 2.0 at 48 hr; 0
erythema and 0.9 for edema (4-hr exposure) at 72 hr; mean 24-72-hr scores for corneal
Human Patch Test; semi-occluded
opacity, iritis, conjunctival redness, and
patch on upper arm; applications of
conjunctival chemosis were 0, 0, 0.50, and 0.61,
US EPA TSCA 40 CFR; rabbit; occluded; PII 25% in mineral oil; 24-hr exposures; 9
respectively
= 3.2/8.0; mean 24-72-hr scores = 2.17 for induction exposures during 3 weeks;
erythema and 0.94 for edema (4-hr exposure) challenged after 10-17 days rest;
C16-18 internal linear and branched: negative
Human Patch Test; 24-hr exposure; semi- OECD 405 except only 3 animals; rabbit; mean
occluded patch on upper arm; applications of Draize score = 2.0/110 at 24 hr; mean 24-72-hr C16-18 internal linear and branched:
undiluted, 25%, 10%, 1% in mineral oil; no scores for each animal were 0 for corneal opacity
Buehler; guinea pig; negative
irritation with dilutions; strong clinical and iritis, 0.0, 0.33, 0.33 for conjunctival
reactions with undiluted material redness, and 0.0, 0.33, 0.0 for conjunctival
chemosis
C16-18 internal linear and branched:
OECD 404 except only 3 animals; rabbit; semi-
occluded; PII = 2.2/8.0; mean 24-72-hr scores
[for each animal] = 1.3, 2.0, 1.3 for erythema
and 0.0, 0.3, 0.3 for edema (4-hr exposure)

a
Study details and references are found in the robust summaries in the dossiers.

UNEP PUBLICATIONS 59
OECD SIDS HIGHER OLEFINS

Table 3 Data summary matrix for the Higher Olefins Category members
Human Health Effects Ecotoxicity Physical Environmental Fate
Chem.
Acute Genetic Genetic Sub- Develop- Reproduc- Acute Acute Algal Photo- Hydro- Fugacity Biodeg.
Chemical CAS # Toxicity Point Mut. Chrom. chronic mental tion Fish Invert. Toxicity deg. lysis

Hexene 25264-93- RA RA RA RA RA RA RA RA RA SAR TD TD CM RA


1 (linear)
Heptene 25339-56- RA RA RA RA RA RA RA RA RA SAR TD TD CM RA
4 (linear)
Octene 25377-83- RA RA RA RA RA RA RA RA RA SAR TD TD CM RA
7 (linear)
Nonene 27215-95- RA RA RA RA RA RA RA RA RA SAR TD TD CM RA
8 (linear)
Decene 25339-53- RA RA RA RA RA RA RA RA RA SAR TD TD CM RA
1 (linear)
Dodecene 25378-22- RA RA RA RA RA RA RA RA RA SAR TD TD CM RA
7 (linear)
Alkenes, 85535-87- √ √ √ RA RA RA √ √ RA SAR TD TD CM √
C10-13 1 (linear)
1- 629-73-2 √ √ √ RA RA RA √ RA √ SAR TD TD CM √
Hexadecene (linear)

1- 112-88-9 RA √ √ RA RA RA √ √ √ SAR TD TD CM √
Octadecene (linear)
√ Adequate existing data available
TD Technical discussion provided
CM Computer Modeling conducted
SAR Structure Activity Relationship (plus measured values where available) provided
RA Read-across to existing data for structural analogs (linear alpha olefins and blends of linear and branched internal olefins.

60 UNEP PUBLICATIONS
OECD SIDS HEXENE

SIDS DOSSIER
ON THE HPV CHEMICAL

HEXENE

CAS No.: 25264-93-1

Contains Robust Summaries for the Following Substances:


CAS No. 25264-93-1, Hexene
CAS No. 558-37-2, Neohexene
CAS No. 68526-52-3; Alkenes, C6
CAS No. 592-41-6, 1-Hexene
CAS No. 68526-53-4; Alkenes, C6-8, C7 rich
SHOP C68 Internal Olefin

Sponsor Country: USA

Date of submission to OECD: April 28, 2005


UNEP PUBLICATIONS 61
OECD SIDS HEXENE
1. GENERAL INFORMATION ID: 25264-93-1
DATE: 28.04.2005
1.01 Substance Information

A. CAS Number: 264-93-1

B. Name (OECD): Hexene

C. Name (IUPAC): Hexene

D. CAS Descriptor: Not applicable

E. EINECS Number: 246-768-2

F. Molecular Formula: C6 H12

G. Structural Formula: Various linear or branched isomers with internal


double bonds with the basic structure of CH3-
CH=CH-(CH2)2-CH3

Sponsor Country: United States of America

Lead Organisation:

Name of Lead Organisation: United States of America Environmental


Protection Agency
Contact person: Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
Address:
• Street: 1200 Pennsylvania Avenue, NW
• Postal code: 20460
• Town: Washington, D.C. 20460
• Country: United States of America
• Tel: (202) 564-7461

Name of Responder (Industry Consortium):

Name: American Chemistry Council (Higher Olefins


Panel)
Contact: Mr. W. D. Anderson, Higher Olefins Panel
Manager
Address:
• Street: 1300 Wilson Boulevard
• Postal code: 22209
• Town: Arlington, VA
• Country: United States of America
• Tel: (703)741-5616
• Fax: (703) 741-6091

1.02 Details on Chemical Category

This profile includes an evaluation of SIDS-level testing data, using a category


approach, with six individual internal olefins (C6 – C10 and C12), a C10 – 13
internal olefins blend and two linear alpha olefins (1-hexadecene and 1-
octadecene), all of which are monoolefins. The internal olefins are
predominantly linear, but may contain small amounts of branched materials. For
the purposes of the ICCA HPV Program, the category was defined as “Higher
Olefins.” The category designation was based on the belief that, within the C6

62 UNEP PUBLICATIONS
OECD SIDS HEXENE
1. GENERAL INFORMATION ID: 25264-93-1
DATE: 28.04.2005
to C18 boundaries identified, internalizing the location of the carbon-carbon
double bond, increasing the length of the carbon chain, and/or changing the
carbon skeleton’s structure from linear to branched does not change the toxicity
profile, or changes the profile in a consistent pattern from lower to higher
carbon numbers. This expectation is supported by a large amount of existing data
for alpha and internal olefins with carbon numbers ranging from C6 to C24. The
members of the category are:

Hexene CAS # 25264-93-1

Heptene CAS # 25339-56-4

Octene CAS # 25377-83-7

Nonene CAS # 27215-95-8

Decene CAS # 25339-53-1

Dodecene CAS # 25378-22-7

Alkenes, C10-C13 CAS# 85535-87-1

1-Hexadecene CAS # 629-73-2

1-Octadecene CAS # 112-88-9

1.1 General Substance Information

A. Type of Substance

Element [ ]; Inorganic [ ]; Natural substance [ ]; Organic [X ];


Organometallic [ ];
Petroleum product [ ]

B. Physical State (at 20°C and 1.013 hPa)

Gaseous [ ]; Liquid [X ]; Solid [ ]

C. Purity:

Remark: This substance is only manufactured and marketed as a


component of a C6-C8 Olefins distillation cut. Synonyms: C68
Olefins, SHOP C68-Internal Olefins C6-C8 Internal Olefins, I
C6-C8. The C6-C8 internal olefin blend has been reported as
comprising 1.9% C5, 43.3% C6, 21.7% C7, 31.7% C8, 1.4% C9.

1.2 Impurities

1.3 Additives

None

1.4 Synonyms

Some synonyms are: Hexene, Isomer(s)


Hexylene
Hexenes

Source: Shell Chemicals UK Ltd. Chester

UNEP PUBLICATIONS 63
OECD SIDS HEXENE
1. GENERAL INFORMATION ID: 25264-93-1
DATE: 28.04.2005

1.5 Quantity

Remarks: U.S. production volume for hexene in 2002 was 1-10 million pounds.
This information was provided by the members of the American
Chemistry Council’s Higher Olefins Panel.

Reference: American Chemistry Council’s Higher Olefins Panel (2002)

1.6 Use Pattern

A. General Use Pattern

Type of Use: Category:

(a)Main Use in closed systems


Industrial Chemical industry – chemicals used in
synthesis
Use Intermediate

Remarks: Intermediate in the manufacture of low


molecular weight fatty acids, mercaptans,
plasticizer alcohols, surfactants

(b)Main Non-dispersive use


Industrial Chemical industry – chemicals used in
synthesis
Use Intermediate

Remarks: Intermediate in the manufacture of low


molecular weight fatty acids, mercaptans,
plasticizer alcohols, surfactants

(c)Main Use in closed systems


Industrial Polymers industry
Use Intermediate

Reference: American Chemistry Council’s Higher Olefins


Panel (2002)

B. Uses In Consumer Products

Not applicable

1.7 Sources of Exposure

Source:

Remarks: This product is produced commercially in closed systems and is used


primarily as an intermediate in the production of other chemicals
(including polymers). No non-intermediate applications have been
identified. Any occupational exposures that do occur are most likely
by the inhalation and dermal routes. It is a common practice to use
personal protective equipment. In the case of dermal exposures,
protective gloves would be worn due to the mildly irritating
properties of this class of chemicals (ACC Higher Olefins Panel).
Results from modelled data suggest that on-site waste treatment
processes are expected to remove this substance from aqueous waste
streams to the extent that it will not be readily detectable in

64 UNEP PUBLICATIONS
OECD SIDS HEXENE
1. GENERAL INFORMATION ID: 25264-93-1
DATE: 28.04.2005
effluent discharge (EPIWIN, 2000b). This substance is not on the US
Toxic Release Inventory (TRI) list (NLM, 2003). This olefin will not
persist in the environment because it can be rapidly degraded
through biotic and abiotic processes.

Reference: American Chemistry Council’s Higher Olefins Panel (2003) Personal


communication.

1.8 Additional Information

A. Classification and Labelling

Classification

Type: as in Directive 67/548/EEC


Category of danger: Highly Flammable, Harmful
R-phrases: (11) Highly flammable
(65) Harmful: may cause lung damage if swallowed

Labelling

Type: as in Directive 67/548/EEC


Specific limits: no
Symbols: F Xn
Nota:
R-phrases: (11) Highly flammable
(65) Harmful: may cause lung damage if swallowed

S-phrases: (9) Keep container in a well ventilated place


(16) Keep away from sources of ignition – No
smoking
(33) Take precautionary measures against static
discharges
(S62) If swallowed, do not induce vomiting: seek
medical advice immediately and show this
container or label

B. Occupational Exposure Limits

Exposure Limit Value

Type: None established


Value:

Short Term Exposure Limit Value

Value: None established

C. Options For Disposal

Remarks: Incineration, diversion to other hydrocarbon uses

UNEP PUBLICATIONS 65
OECD SIDS HEXENE
1. GENERAL INFORMATION ID: 25264-93-1
DATE: 28.04.2005
D. Last Literature Search

Type of search: Internal and external


Date of search: October 2003
Remark: Medline
IUCLID
TSCATS
ChemIDplus
AQUIRE - ECOTOX

66 UNEP PUBLICATIONS
OECD SIDS HEXENE
2. PHYSICO-CHEMICAL DATA ID: 25264-93-1
DATE: 28.04.2005
2.1 Melting Point

A. Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of the computer program EPIWIN version
3.10
GLP: Not applicable
Year: Not applicable

Test Conditions: Melting Point is calculated by the MPBPWIN subroutine,


which is based on the average results of the methods of
K. Joback, and Gold and Ogle, and chemical structure.
Joback's Method is described in Joback, (1982). The Gold
and Ogle Method simply uses the formula Tm = 0.5839Tb,
where Tm is the melting point in Kelvin and Tb is the
boiling point in Kelvin. EPIWIN program used the
structure for 2-hexene.

Results

Melting point
value in °C: -120.86°C

Reliability: (2) Reliable with restrictions. The result is


calculated data based on chemical structure as modeled
by EPIWIN.

Flag: Key study for SIDS endpoint

References: Joback, K.G. 1982. A Unified Approach to Physical


Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.

EPIWIN. 2000. Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

B. TEST SUBSTANCE

Identity: C6-C8 Internal Olefins

Method

Method/guideline followed: ASTM D2386


GLP: No data
Year: No data

Test Conditions: No data

UNEP PUBLICATIONS 67
OECD SIDS HEXENE
2. PHYSICO-CHEMICAL DATA ID: 25264-93-1
DATE: 28.04.2005
Results Melting point value in °C: -50°C

Reliability: (4) Not assignable. These data were not reviewed


for quality.

References: Shell Chemicals UK Ltd. Chester (cited in IUCLID)

C. TEST SUBSTANCE

Identity: 2-Hexene

Method

Method/guideline followed: No data


GLP: No data
Year: No data

Test Conditions: No data

Results

Melting point value in °C: -141.1 to -133°C

Reliability: (2) Reliable with restrictions. These data were


obtained from a reliable secondary source.

References: Lide, D.R. (ed.) (1998-1999) CRC Handbook of


Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-193.

D. TEST SUBSTANCE

Identity: 3-Hexene

Method

Method/guideline followed: No data


GLP: No data
Year: No data

Test Conditions: No data

Results

Melting point value in °C: -137.8 to -115.4 °C

Reliability: (2) Reliable with restrictions. These data were


obtained from a reliable secondary source.

References: Lide, D.R. (ed.) (1998-1999) CRC Handbook of


Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-193.

E. Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

68 UNEP PUBLICATIONS
OECD SIDS HEXENE
2. PHYSICO-CHEMICAL DATA ID: 25264-93-1
DATE: 28.04.2005

Method/
guideline followed: No data
GLP: No data
Year: No data

Test Conditions: No data

Results

Melting point
value in °C: -98°C

Reliability: (2) Reliable with restrictions: The result is measured


data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

References: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

2.2 Boiling Point

A. Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
GLP: Not applicable
Year: Not applicable

Test Conditions: Boiling Point is calculated by the MPBPWIN subroutine,


which is based on the method of Stein and Brown (1994).
(program used structure for 2-hexene)

Results

Boiling point
value in °C: 79.21°C
Pressure: 1013
Pressure unit: hPa

Reliability: (2) Reliable with restrictions. The result is


calculated data based on chemical structure as modeled
by EPIWIN .

References: Stein, S. and R. Brown (1994) Estimation of normal


boiling points from group contributions (1994) J. Chem.
Inf. Comput. Sci. 34: 581-587.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

UNEP PUBLICATIONS 69
OECD SIDS HEXENE
2. PHYSICO-CHEMICAL DATA ID: 25264-93-1
DATE: 28.04.2005

B. Test Substance

Identity: C6-C8 Internal Olefins

Method
Method: ASTM D68
GLP: No data
Year: No data

Test Conditions: No data

Results

Boiling point value: 74-120°C


Pressure: No data
Remarks: Upper value is for 90% distilled.

Reliability: (4) Not assignable. These data were not reviewed for
quality.

References: Shell Chemicals UK Ltd. Chester, as cited in IUCLID

C. TEST SUBSTANCE

Identity: 2-Hexene

Method

Method/guideline followed: No data


GLP: No data
Year: No data

Test Conditions: No data

Results

Boiling point value: 67.9 – 68.8°C


Pressure: No data

Reliability: (2) Reliable with restrictions. Obtained from a


reliable secondary source. These data were not
reviewed for quality.

References: Lide, D.R. (ed.) (1998-1999) CRC Handbook of


Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-193.

D. TEST SUBSTANCE

Identity: 3-Hexene

Method

Method/guideline followed: No data

70 UNEP PUBLICATIONS
OECD SIDS HEXENE
2. PHYSICO-CHEMICAL DATA ID: 25264-93-1
DATE: 28.04.2005
GLP: No data
Year: No data

Test Conditions: No data

Results

Boiling point value: 66.4-67.1°C


Pressure: No data

Reliability: (2) Reliable with restrictions. Obtained from a


reliable secondary source. These data were not
reviewed for quality.

References: Lide, D.R. (ed.) (1998-1999) CRC Handbook of


Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-193.

E. Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Method/
guideline followed: No data
GLP: No data
Year: No data

Test Conditions: No data

Results

Boiling point
value in °C: 65°C
Pressure: 1013
Pressure unit: hPa

Reliability: (2) Reliable with restrictions. The result is measured


data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

References: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

2.3 Density

A. Test Substance

Identity: C6-C8 Internal Olefins

Method

Method: ISO 3675

UNEP PUBLICATIONS 71
OECD SIDS HEXENE
2. PHYSICO-CHEMICAL DATA ID: 25264-93-1
DATE: 28.04.2005
GLP: No data

Test Conditions: No data

Results

Type: density
Value: ca. 700 kg/m3
Temperature (°C): 20°C

Reliability: (2) Reliable with restrictions. These data were not


reviewed for quality but were obtained from a reliable
source .

Reference: Shell Chemicals UK Ltd. MSDS, Chester

B. Test Substance

Identity: 2-hexene

Method

Method: No data
GLP: No data

Test Conditions: No data

Results

Type: density
Value: 0.6869 - 0.6772 g/cm3
Temperature (°C): 20°C

Reliability: (2) Reliable with restrictions. These data were not


reviewed for quality, but were obtained from a reliable
secondary source.

Reference: Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry


and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., p.
3-193.

2.4 Vapour Pressure

A. Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Method/
guideline followed: Not reported
GLP: Not applicable
Year:

Test Conditions:

Results

72 UNEP PUBLICATIONS
OECD SIDS HEXENE
2. PHYSICO-CHEMICAL DATA ID: 25264-93-1
DATE: 28.04.2005
Vapor Pressure
Value: 230.6 hPa
Temperature: 25°C
Remarks: Reported as 173 mm Hg (25°C)

Reliability: (2) Reliable with restrictions. The result is measured


data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

References: Jordan, T.E. (1954) Vapor Pressure of Organic Compounds.


New York, NY, Interscience Publisher, Inc.; EPIWIN
(2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

B. Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
v. 3.10, MPBPWIN v 1.40
GLP: Not applicable
Year: Not applicable

Test Conditions: Vapor Pressure is calculated by the MPBPWIN subroutine,


which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985. The calculation
used an experimental value for BP of 65 °C from EPIWIN
database.

Results

Vapor Pressure
value: 230.6 hPa
Temperature (°C ): 25°C
Remarks: Reported as 173 mm Hg

Reliability: (2) Reliable with restrictions. The result is


calculated data as modeled by EPIWIN using measured data
as cited in the EPIWIN database. These data were not
reviewed for quality.

References: Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.


(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.

Neely and Blau (1985) Environmental Exposure from


Chemicals, Volume 1, p. 31, CRC Press.

UNEP PUBLICATIONS 73
OECD SIDS HEXENE
2. PHYSICO-CHEMICAL DATA ID: 25264-93-1
DATE: 28.04.2005
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

2.5 Partition Coefficient (log10Kow)

A. TEST SUBSTANCE

Identity: C6-C8 Internal Olefins

Method

Method: No data
GLP: No data
Year: No data

Test Conditions: No data

Results

Log Kow: 3.4 – 4.6

Reliability: (4) Not assignable. These data were not reviewed for
quality.

References: Shell Chemicals UK Ltd. Chester, as cited in IUCLID

B. Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Method: Calculated value using the computer program EPIWIN


version 3.10, KOWWIN v 1.66
GLP: Not applicable
Year: Not applicable
Test Conditions: Octanol / Water Partition Coefficient is calculated by
the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). Program used structure for 2-hexene.

Results

Log Kow: 3.07


Temperature (°C ): Not applicable

Reliability: (2) Reliable with restrictions. The result was


calculated based on chemical structure as modeled by
EPIWIN.

Flag: Key study for SIDS endpoint

74 UNEP PUBLICATIONS
OECD SIDS HEXENE
2. PHYSICO-CHEMICAL DATA ID: 25264-93-1
DATE: 28.04.2005
Reference: Meylan, W. and P. Howard (1995) Atom/fragment
contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.

EPIWIN (2000a). Estimation Program Interface for


Windows, version 3.10. Syracuse Research Corporation,
Syracuse, NY. USA.

C. Test Substance

Identity: CAS No. 592-41-6, 1-Hexene

Method

Method: No data
GLP: No data
Year: No data
Test Conditions: No data

Results

Log Kow: 3.39


Temperature (°C ): No data

Reliability: (2) Reliable with restrictions. Experimental result as


cited in the EPIWIN database. These data were not
reviewed for quality.

Flag: Key study for SIDS endpoint

Reference: Hansch C et al., 1995, as cited in EPIWIN (2000b).


Estimation Program Interface for Windows, version 3.11.
EPI Suite™ software, U.S. Environmental Protection
Agency, Office of Pollution Prevention and Toxics,
U.S.A.

2.6.1 Water Solubility (including *Dissociation Constant).

A. Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
v 3.10, WSKOW v 1.40
GLP: Not applicable
Year: Not applicable

Test Conditions: Water Solubility is calculated by the WSKOW


subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996. The
calculation used an estimated Log Kow of 3.07 and
a melting point of -98 °C. EPIWIN used a structure
for 2-hexene to estimate Log Kow.

UNEP PUBLICATIONS 75
OECD SIDS HEXENE
2. PHYSICO-CHEMICAL DATA ID: 25264-93-1
DATE: 28.04.2005

Results

Value(mg/L) at
temperature ( °C): 91.78 mg/L (25°C)

Reliability: (2) Reliable with restrictions: The result was


calculated by EPIWIN using estimated data cited in
the EPIWIN database.

References: Meylan, W., P. Howard and R. Boethling (1996)


Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.

EPIWIN (2000a). Estimation Program Interface for


Windows, version 3.10. Syracuse Research
Corporation, Syracuse, NY. USA.

B. Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Method/
guideline followed: No data
GLP: No data
Year:

Test Conditions: No data

Results

Value (mg/L)
at temperature (°C): 50 mg/L (20°C)

Reliability: (2) Reliable with restrictions. Experimental result as


cited in the EPIWIN database. These data were not
reviewed for quality.

Flag: Key study for SIDS endpoint

References: Baehr, A.L. (1987) Selective transport of hydrocarbons


in the unsaturated zone due to aqueous and vapor phase
partitioning . Water Resources Research 23, 1926-38;
EPIWIN. 2000. Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

2.6.2 Surface tension

No data available

2.7 Flash Point (Liquids)

Test Substance

76 UNEP PUBLICATIONS
OECD SIDS HEXENE
2. PHYSICO-CHEMICAL DATA ID: 25264-93-1
DATE: 28.04.2005
Identity: C6-C8 Internal Olefins

Method

Method: ISO 2719


GLP:

Test Conditions: No data

Results

Value (°C): -26 °C


Type of test: Closed cup

Reliability: (2) Reliable with restrictions. These data were not reviewed
for quality but were obtained from a reliable source .

Reference: Shell Chemicals UK Ltd. Chester, as cited in IUCLID

2.8 Auto Flammability (Solids/Gases)

No data available

2.9 Flammability

Test Substance

Identity: C6-C8 Internal Olefins

Method

Method: No data
GLP: No data

Test Conditions: No data

Result: Highly flammable

Lower flammability limit: 0.8% in air


Upper flammability limit: 6.8% in air

Reliability: (2) Reliable with restrictions. Data were not evaluated for
quality but were obtained from a reliable source .

Reference: Shell Chemical Company MSDS

2.10 Explosive Properties

No data available

2.11 Oxidising Properties

No data available

2.12 Oxidation-Reduction Potential

No data available

UNEP PUBLICATIONS 77
OECD SIDS HEXENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25264-93-1
DATE: 28.04.2005
3.1 Stability

A. Photodegradation

(1) Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Method/
guideline followed: Other: Technical discussion

Type: water
GLP: Not applicable
Year: Not applicable

Test Conditions: Not applicable

Results

Direct photolysis: In the environment, direct photolysis will


not significantly contribute to the
degradation of constituent chemicals in the
Higher Olefins Category.

Remarks: The direct photolysis of an organic molecule


occurs when it absorbs sufficient light energy to
result in a structural transformation (Harris,
1982a). The reaction process is initiated when
light energy in a specific wavelength range
elevates a molecule to an electronically excited
state. However, the excited state is competitive
with various deactivation processes that can
result in the return of the molecule to a non
excited state.

The absorption of light in the ultra violet (UV)-


visible range, 110-750 nm, can result in the
electronic excitation of an organic molecule.
Light in this range contains energy of the same
order of magnitude as covalent bond dissociation
energies (Harris, 1982a). Higher wavelengths (e.g.
infrared) result only in vibrational and
rotational transitions, which do not tend to
produce structural changes to a molecule.

The stratospheric ozone layer prevents UV light of


less than 290 nm from reaching the earth's
surface. Therefore, only light at wavelengths
between 290 and 750 nm can result in photochemical
transformations in the environment (Harris,
1982a). Although the absorption of UV light in the
290-750 nm range is necessary, it is not always
sufficient for a chemical to undergo photochemical
degradation. Energy may be re-emitted from an
excited molecule by mechanisms other than chemical
transformation, resulting in no change to the
parent molecule.

78 UNEP PUBLICATIONS
OECD SIDS HEXENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25264-93-1
DATE: 28.04.2005
A conservative approach to estimating a
photochemical degradation rate is to assume that
degradation will occur in proportion to the amount
of light wavelengths >290 nm absorbed by the
molecule (Zepp and Cline, 1977).

Olefins with one double bond, such as the


chemicals in the Higher Olefins category, do not
absorb appreciable light energy above 290 nm. The
absorption of UV light to cause cis-trans
isomerization about the double bond of an olefin
occurs only if it is in conjugation with an
aromatic ring (Harris, 1982a).

Products in the Higher Olefins Category do not


contain component molecules that will undergo
direct photolysis. Therefore, this fate process
will not contribute to a measurable degradative
removal of chemical components in this category
from the environment.

Reliability: Not applicable

References: Harris J C (1982a). Rate of Aqueous Photolysis.


Chapter 8 in: W. J. Lyman, W. F. Reehl, and D. H.
Rosenblatt, eds., Handbook of Chemical Property
Estimation Methods, McGraw-Hill Book Company, New
York, USA.

Zepp, R. G. and D. M. Cline (1977). Rates of


Direct Photolysis in the Aqueous Environment,
Environ. Sci. Technol., 11:359-366.

(2) Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Method/
guideline followed: Calculated values using AOPWIN version 1.90,
a subroutine of the computer program EIPWIN
version 3.10 which uses a program described
by Meylan and Howard (1993). Program used
structure for 2-hexene.

Type: air
GLP: Not applicable
Year: Not applicable

Results

Indirect photolysis

Sensitiser (type): OH
Rate Constant: 59.0009 E-12 cm3/molecule-sec [cis isomer]
Rate Constant: 66.6009 E-12 cm3/molecule-sec [trans isomer]
Degradation % after: 50% after 2.175 hrs (using 12-hr day and
avg. OH conc. of 1.5 E OH/cm3)[cis isomer]

UNEP PUBLICATIONS 79
OECD SIDS HEXENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25264-93-1
DATE: 28.04.2005
Degradation % after: 50% after 1.927 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3)[trans
isomer]

Sensitiser (type): Ozone


Rate Constant: 13 E-17 cm3/molecule-sec [cis isomer]
Rate Constant: 20 E-17 cm3/molecule-sec [trans isomer]
Degradation % after: 50% after 2.116 hrs (using avg. OH conc. of
7 E11 mol/cm3)[cis isomer]
Degradation % after: 50% after 1.375 hrs (using avg. OH conc. of
7 E11 mol/cm3)[trans isomer]

Reliability: (2) Reliable with restrictions. The value was


calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.

Flag: Critical study for SIDS endpoint

References: Meylan, W.M. and Howard, P.H. 1993. Computer


estimation of the atmospheric gas-phase reaction
rate of organic compounds with hydroxyl radicals
and ozone. Chemosphere 26: 2293-99

EPIWIN (2000a) Estimation Program Interface for


Windows, version 3.10. Syracuse Research
Corporation, Syracuse, NY. USA.

B. Stability in Water

Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Method/
guideline followed: Other – Technical Discussion
Type (test type):
GLP: Yes [ ] No[ ]
Year:

Test Conditions: Not applicable

Results: Not applicable

Remarks: Hydrolysis of an organic molecule occurs when a molecule


(R-X) reacts with water (H2O) to form a new carbon-
oxygen bond after the carbon-X bond is cleaved (Gould,
1959; Harris, 1982b). Mechanistically, this reaction is
referred to as a nucleophilic substitution reaction,
where X is the leaving group being replaced by the
incoming nucleophilic oxygen from the water molecule.

The leaving group, X, must be a molecule other than


carbon because for hydrolysis to occur, the R-X bond
cannot be a carbon-carbon bond. The carbon atom lacks
sufficient electronegativity to be a good leaving group

80 UNEP PUBLICATIONS
OECD SIDS HEXENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25264-93-1
DATE: 28.04.2005
and carbon-carbon bonds are too stable (high bond
energy) to be cleaved by nucleophilic substitution.
Thus, hydrocarbons, including alkenes, are not subject
to hydrolysis (Harris, 1982b) and this fate process will
not contribute to the degradative loss of chemical
components in this category from the environment.

Under strongly acidic conditions the carbon-carbon


double bond found in alkenes, such as those in the
Higher Olefins Category, will react with water by an
addition reaction mechanism (Gould, 1959). The reaction
product is an alcohol. This reaction is not considered
to be hydrolysis because the carbon-carbon linkage is
not cleaved and because the reaction is freely
reversible (Harris, 1982b). Substances that have a
potential to hydrolyze include alkyl halides, amides,
carbamates, carboxylic acid esters and lactones,
epoxides, phosphate esters, and sulfonic acid esters
(Neely, 1985).

The substances in the Higher Olefins Category are


primarily olefins that contain at least one double bond
(alkenes). The remaining chemicals are saturated
hydrocarbons (alkanes). These two groups of chemicals
contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic
mechanism discussed above. Therefore, chemicals in the
Higher Olefins Category have a very low potential to
hydrolyze, and this degradative process will not
contribute to their removal in the environment.

Conclusions: In the environment, hydrolysis will not contribute to


the degradation of hexene.

Reliability: Not applicable

References: Gould, E.S. (1959) Mechanism and Structure in Organic


Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.

Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in:


W.J. Lyman, W.F. Reehl, and D.H. Rosenblatt, eds.,
Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.

Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G.


E. Blau, eds. Environmental Exposure from Chemicals. Vol
I., pp. 157-173. CRC Press, Boca Raton, FL, USA.

C. Stability In Soil

No data available

3.2 Monitoring Data (Environment)

No data available.

3.3 Transport and Distribution

UNEP PUBLICATIONS 81
OECD SIDS HEXENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25264-93-1
DATE: 28.04.2005

3.3.1 Transport between environmental compartments

A. Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Type: Fugacity models, Mackay Levels I and III

Remarks: Trent University model used for calculations. Half-lives in


water, soil and sediment estimated using EPIWIN (EPIWIN,
2000b)

Chemical assumptions:

Molecular weight: 84
Water solubility: 50 g/m3
Vapor pressure: 23060 Pa (25°C)
Log Kow: 3.07
Melting point: -98°C
Environment name: EQC – standard environment

Half-life in air = 1.4 hr, half-life in water = 208 hr, half-


life in soil = 208 hr, half-life in sediment = 832 hr
All other parameters were default values. Emissions for Level
I = 1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).

Results Media: Air, soil, water and sediment concentrations were


estimated

Level I Level III


Air 100% 2.9%
Water <1% 90.6%
Soil <1% 5.8%
Sediment <1% <1%

Remarks: Since default assumptions for release estimates were used,


resulting environmental concentrations are not provided.

Conclusions: These results indicated that hexene will partition


primarily to air under equilibrium conditions (Level I
model), but primarily to water under the assumed pattern
of chemical release (equal loading of water, soil and
air) in the Level III model.

Reliability: (2) Valid with restrictions: Input data are calculated.

Flag: Critical study for SIDS endpoint

References: Trent University (2004). Level I Fugacity-based Environmental


Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version
2.80.1). Environmental Modeling Centre, Trent University,
Peterborough, Ontario. (Available at
http://www.trentu.ca/cemc)

82 UNEP PUBLICATIONS
OECD SIDS HEXENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25264-93-1
DATE: 28.04.2005
EPIWIN (2000b). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.

B. Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Type: Volatilization from water

Remarks: Calculated using the computer program EPIWIN version


3.10; based on
Henry’s Law Constant of 0.383 atm-m3/mole (calculated
from VP/WS), water solubility of 50 ppm and vapor
pressure of 173 mm Hg.

Results: Half-life from a model river: 0.9375 hrs


Half-life from a model lake: 3.6 days

Reliability: (2) Valid with restrictions: Some input data are


calculated and values supplied by EPIWIN’s experimental
database were not reviewed for quality.

References: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

3.3.2 Distribution

A. Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Method: Adsorption Coefficient (Koc) calculated value using the


computer program EPIWIN, PCKOC v 1.66 using the method
described by Meylan et al., 1992.

Test Conditions: Based on chemical structure (program used structure for


2-hexene)

Results

Value: Estimated Koc = 149

Reliability: (2) Reliable with restrictions: Value is calculated.

Reference: Meylan, W., P.H. Howard and R.S. Boethling (1992)


Molecular topology/fragment contribution method for
predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7.

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

UNEP PUBLICATIONS 83
OECD SIDS HEXENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25264-93-1
DATE: 28.04.2005

B. Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Method: Henry’s Law Constant calculated value using the computer


program EPIWIN, HENRY v 3.10

Test Conditions: Bond and Group estimates based on chemical structure, at


25°C (program used structure for 2-hexene); VP/water
solubility estimates based on EPIWIN values of VP = 173
mm Hg and WS = 50 mg/L.

Results

Value: Bond estimate = 0.423 atm-m3/mole


Group estimate = 0.370 atm-m3/mole
VP/Wsol estimate = 0.383 atm-m3/mole

Reliability: (2) Reliable with restrictions: Input data were from


EIPWIN’s database and were not reviewed for quality.

Reference: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

3.4 Aerobic Biodegradation

A. Test Substance

Identity: CAS No. 68526-52-3; Alkenes, C6 , internal branched

Method

Method/guideline: OECD 301F, Ready Biodegradability, Manometric


Respirometry Test

Type: Aerobic [X ] Anaerobic [ ]


GLP: Yes

Year: 1995

Contact time: 28 days


Inoculum: Domestic activated sludge

Test Conditions: Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride).

Test vessels were 1L glass flasks placed in a waterbath


and electronically monitored for oxygen consumption.

Test material was tested in triplicate, controls and


blanks were tested in duplicate. Test material loading
was approximately 40 mg/L. [Reason for using 40 mg/L

84 UNEP PUBLICATIONS
OECD SIDS HEXENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25264-93-1
DATE: 28.04.2005
instead of 100 mg/L: Substances such as this test
material typically have ThODs between 2 and 3 mg per mg
substance. Thus, the test material concentration was
adjusted for a target of 100 mg THOD/L] Sodium benzoate
(positive control) concentration was approximately 44
mg/L. Test temperature was 22 +/- 1 Deg C.

All test vessels were stirred constantly for 28 days


using magnetic stir bars and plates.

Results: Approximately 21% biodegradation of the test material


was measured on day 28. Approximately 10% biodegradation
was achieved on day 19.

By day 14, >60% biodegradation of the positive control


was measured, which meets the guideline requirement. No
excursions from the protocol were noted.

Biodegradation was based on oxygen consumption and the


theoretical oxygen demand of the test material as
calculated using results of an elemental analysis of the
test material.

% Degradation* Mean %
Degradation
Sample (day 28) (day 28)
Test Material 25.9, 10.5, 27.4 21.3
Na Benzoate 98.9,95.5 97.2

* replicate data

Reliability: (1) Reliable without restriction

Flag: Key study for SIDS endpoint

Reference: Exxon Biomedical Sciences, Inc. (1997) Alkenes, C6:


Ready Biodegradability: OECD 301F Manometric
Respirometry. Study #119094A. Exxon Biomedical Sciences,
Inc., East Millstone, NJ, USA (unpublished report).

B. Test Substance

Identity: CAS No. 592-41-6, 1-Hexene

Method

Method/guideline: OECD 301C, Ready Biodegradability, Modified MITI Test


(I)

Type: Aerobic [X ] Anaerobic [ ]


GLP: no data

Year: no data

Contact time: 28 days


Inoculum: Mixture from several sources in Japan that included 4
sewage plants, 3 rivers, 2 bays, and 1 lake.

UNEP PUBLICATIONS 85
OECD SIDS HEXENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25264-93-1
DATE: 28.04.2005

Test Conditions: A mixed inoculum was developed and maintained that used
ten sources and included: return sludge from 1
industrial and 3 city sewage plants; and water from 3
rivers, 2 bays, and 1 lake, with soil from land adjacent
to these bodies of water. A filtrate from the
combination of these samples was prepared and added to
an existing culture that had been developed from the
same sources as above and maintained under aeration and
with a synthetic feed composed of glucose, peptone, and
monopotassium phosphate. The inoculum used for this
biodegradation test was removed from the mixed culture
and added to the test systems at a concentration of 30
mg of inoculum per liter of test medium. Blank and
positive controls were used per guideline. The positive
control, aniline, was added to the control vessel at a
loading rate of 100 mg/L. Test systems contained 100 mg
test substance per liter of medium. The volume of test
solution was 300 ml. Temperature of incubation: 24 -
26°C. Oxygen consumption was monitored using a closed
system oxygen consumption measuring apparatus from
Ohkura Electric Co., Ltd. Percent biodegradation was
calculated as a percent ratio of the biological oxygen
demand (BOD) in the test system less the BOD of the
blank control, to the calculated theoretical oxygen
demand of the added test material. When percentage
biodegradations of aniline calculated by BOD value were
beyond 40% and 60% at the 7th and 14th day,
respectively, it was concluded that the test condition
was valid.

Results: The degree of biodegradation of the test material was 66


– 98% after 28 days.

% Degradation* Mean % Degradation


Sample (day 28) (day 28)
Test Material 66, 98, 67 77
* replicate data

By day 14, >60% biodegradation of the positive control


was measured, which meets the guideline requirement. No
excursions from the protocol were noted.

Reliability: (2) Reliable with restrictions

This study is considered valid with restrictions.


Reference compound data are not presented and the range
in biodegradation values is not less than 20% as
required in OECD guideline 301C.

Flag: Key study for SIDS endpoint

Reference: Chemicals Inspection and Testing Institute, Japan (1992)


1-Hexene: Biodegradation and Bioaccumulation Data of
Existing Chemicals Based on the CSCL Japan. Japan
Chemical Industry Ecology-Toxicology and Information
Center.

86 UNEP PUBLICATIONS
OECD SIDS HEXENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25264-93-1
DATE: 28.04.2005
Other: This study was included in the dossier for 1-hexene at
SIAM 11. Additional information has been added.

C. Test Substance

Identity: CAS No. 592-41-6; 1-Hexene

Method
Method/guideline: Closed-bottle test 84/449/EEC

Type: Aerobic [X ] Anaerobic [ ]


GLP: Yes

Year: 1985

Contact time: 28 days


Inoculum: Activated sludge

Test Conditions: Microorganisms were obtained from Sittingbourne Sewage


Works (UK) and prepared according to standard test
protocols. Test medium was 2 mg/L 1-hexene as emulsion
in Dobane PT sulphonate solution. Test bottles were
incubated at 21±1°C and the extent of biodegradation was
determined by measuring oxygen concentration in the
bottles at days 5, 15 and 28. Controls with no
microbial innoculum (control) and with medium plus
microbial innoculum only (blank) were included. Sodium
benzoate was used as a biodegradable substance to
demonstrate the activity of the microbial innoculum.

Results: Approximately 22% biodegradation of the test material


was measured on day 28. A larger amount of the
theoretical oxygen demand (45%) had been consumed in
the bottles titrated at day 15, but this was not
sufficient for the material to pass as “readily
biodegradable.” There was no inhibition of microbial
activity under the test conditions.

By day 15, >60% biodegradation of the positive control


was measured, which meets the guideline requirement.

1-Hexene was not “readily biodegradable.”

Biodegradation was based on oxygen consumption and the


theoretical oxygen demand of the test material as
calculated using the formula and molecular weight as
C6H12=84 which leads to a Theoretical Oxygen demand of
3.43 g O per g substance and Theoretical Carbon Dioxide
evolution of 3.14 g CO2 per g of test substance.

.
% Degradation* Mean %
Degradation
Sample (day 28) (day 28)
Test Material 21, 22 22
Na Benzoate 87, 63 75

* replicate data

UNEP PUBLICATIONS 87
OECD SIDS HEXENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25264-93-1
DATE: 28.04.2005

Reliability: (1) Reliable without restriction

Reference: Shell Research Limited (1985) Shop C6 Alpha Olefins: An


Assessment of Ready Biodegradability, Document
SBGR.85.111 (unpublished report).

Other: This study was included in the dossier for 1-hexene at


SIAM 11. Additional information has been added.

D. Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Method/guideline: Estimated using the computer program EPIWIN v 3.10,


BIOWIN v 4.00

Type: Aerobic

Test Conditions: Estimates use methods described by Howard et al., 1992;


Boethling et al., 1994; and Tunkel et al., 2000.
Estimates are based upon fragment constants that were
developed using multiple linear and non-linear
regression analyses.

Results: Linear model prediction: Biodegrades fast


Non-linear model prediction: Biodegrades fast
Ultimate biodegradation timeframe: Days-Weeks
Primary biodegradation timeframe: Days
MITI linear model prediction: Biodegrades fast
MITI non-linear model prediction: Biodegrades fast

Reliability: (2) Reliable with restriction: Results are estimated

Reference: Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J.


Beaumann and N. Tirado (1994) Group contribution method
for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.

Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M.


Meylan, A.E. Hueber, J.A. Beauman and M.E. Larosche
(1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data.
Environ. Toxicol. Chem. 11:593-603.

Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and


H. Loonen (2000) Predicting ready biodegradability in
the MITI Test. Environ. Toxicol. Chem. (accepted for
publication)

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

88 UNEP PUBLICATIONS
OECD SIDS HEXENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25264-93-1
DATE: 28.04.2005
3.5 BOD5, COD or ratio BOD5/COD

No data available

3.6 Bioaccumulation

Test Substance

Identity: CAS No. 25264-93-1, Hexene

Method

Method: BCF calculated value using the computer program EPIWIN, BCF v
2.14

Test Conditions: Based on chemical structure and Log Kow (estimated as 3.07 by
EPIWIN using structure for 2-hexene) using methods described
by Meylan et al., 1999. Formula used to make BCF estimate: Log
BCF = 0.77 log Kow – 0.70 with no correction factor.

Results

Value: Estimated Log BCF = 1.666 (BCF = 46.37)

Reliability: (2) Reliable with restrictions: Input data was calculated.

Reference: Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved


method for estimating bioconcentration / bioaccumulation
factor from octanol/water partition coefficient. Environ.
Toxicol. Chem. 18(4): 664-672

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse, NY.
USA.

3.7 Additional Information

A. Sewage Treatment

Test Substance

Identity: CAS No. 25264-93-1, Hexene

Test Method: Calculated, EPIWIN STP Fugacity Model, predicted fate in


a wastewater treatment facility.
Input values: MW = 84.16; WS = 50 mg/L; VP = 173 mmHg; Henry’s LC =
0.383148 atm-m3/mol; air-water partition coefficient =
15.6696; Log Kow = 3.07; biomass to water partition
coefficient = 235.779; temperature = 25°C
GLP: No
Test Medium: Secondary waste water treatment (water)
Test Type: Aerobic

Test Results: 99.34 % removed from wastewater treatment

Reliability: (2) Reliable with restriction: Results are estimated

UNEP PUBLICATIONS 89
OECD SIDS HEXENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25264-93-1
DATE: 28.04.2005
Reference: EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

B. Sewage Treatment

Test Substance

Identity: CAS No. 592-41-6, 1-Hexene

Test Medium: Waste Water Treatment with a rotary disk contact aerator

Results: Elimination of >99% of 1-hexene.

Reliability: (2) Reliable with restrictions: Data were not reviewed


for qualtity.

Reference: Verschueren, K. (1983) Handbook of Environmental Data


on Organic Chemicals, 2nd ed., Van Nostrand Reinhold
Company, New York, NY.

Other: This study was included in the dossier for 1-hexene at


SIAM 11. Additional information has been added.

C. OTHER INFORMATION: MIGRATION TO GROUNDWATER

Test Substance

Identity: CAS No. 592-41-6, 1-Hexene

Method: Predicted using USEPA EPIWIN Input values: MW=84.16;


MP=-139.7C; BP=63.4C; WS=50 mg/L; VP=184 mmHg

Results: Rate moderate to rapid

Remarks: May be mitigated by volatilization

Reference: EAB-IRER (1995); USEPA EPIWIN output run by


USEPA/OPPT/RAD/ECAB, 8/99.

Other: This study was included in the dossier for 1-hexene at


SIAM 11. Additional information has been added.

90 UNEP PUBLICATIONS
OECD SIDS HEXENE
4. ECOTOXICITY ID: 25264-93-1
DATE: 28.04.2005
4.1 Acute Toxicity to Fish

A. Test Substance

Identity: CAS No. 68526-52-3; Alkenes, C6

Method

Method/guideline: OECD 203


Test type: Semi-static Fish Acute Toxicity Test
GLP: Yes [X ] No [ ]
Year: 1995
Species/Strain/Supplier: Rainbow Trout (Oncorhynchus mykiss)

Analytical Monitoring: Yes


Exposure period: 96 hours
Statistical methods: Trimmed Spearman-Karber Method (Hamilton, M.A. et
al. 1977. Trimmed Spearman-Karber Method for
Estimating Median Lethal Concentration in Toxicity
Bioassays. Environ. Sci. Technol. 11:714-719.)

Test Conditions: Each test solution was prepared by adding the test
substance, via syringe, to 19.5 L of laboratory blend
water in 20 L glass carboys. The solutions were mixed
for 24 hours with a vortex of <10%. Mixing was performed
using a magnetic stir plate and Teflon coated stir bar
at room temperature (approximately 22C). After mixing,
the solutions were allowed to settle for one hour after
which the Water Accommodated Fraction (WAF) was siphoned
from the bottom of the mixing vessel through a siphon
that was placed in the carboy prior to adding the test
material. Test vessels were 4.0 L aspirator bottles that
contained approximately 4.5 L of test solution. Each
vessel was sealed with no headspace after 5 fish were
added. Three replicates of each test material loading
were prepared. Approximately 80% of each solution was
renewed daily from a freshly prepared WAF.

Test material loading levels included: 6.25, 12.5, 25,


50, and 100 mg/L, which measured 2.9, 6.6, 13.4, 16.9,
and 44.0 mg/L, respectively, and are based on the mean
of samples taken from the new and old test solutions. A
control containing no test material was included and the
analytical results were below the quantitation limit,
which was 0.2 mg/L.

Water hardness was 190-210 mg/L as CaCO3. Test


temperature was 16C (sd = 0.04). Lighting was 623 to 629
Lux with a 16-hr light and 8-hr dark cycle. Dissolved
oxygen ranged from 7.7 to 9.6 mg/L for "new" solutions
and 4.5 to 7.5 mg/L for "old" solutions. The pH ranged
from 8.2 to 8.5 for "new" solutions and 7.2 to 7.7 for
"old" solutions.

Fish supplied by Thomas Fish Co. Anderson, CA, USA; age


at test initiation = approximately 5 weeks; mean wt. at
test termination = 0.375 g; mean total length at test
termination = 3.6 cm; test loading = 0.42 g of fish/L.
The fish were slightly shorter than the guideline
suggestion of 4.0 to 6.0 cm, which were purposely
selected to help maintain oxygen levels in the closed

UNEP PUBLICATIONS 91
OECD SIDS HEXENE
4. ECOTOXICITY ID: 25264-93-1
DATE: 28.04.2005
system. Fish size had no significant effect on study
outcome.

Results : 96-hour LL50 = 12.8 mg/L (95% CI 10.7 to 15.3 mg/L)


based
upon loading rates.

96-hour LC50 = 6.6 mg/L (95% CI 5.4 to 8.0 mg/L) based


upon measured values of old and new solutions.

Analytical method used was Headspace Gas Chromatography


with Flame Ionization Detection (GC-FID).

Loading Measured Fish Total


Rate (mg/L) Conc. (mg/L) Mortality (@96 hrs)*
Control Control 0
6.25 2.9 0
12.5 6.6 7
25 13.4 15
50 16.9 15
100 44.0 15

* 15 fish added at test initiation

Reliability: (1) Reliable without restriction

Flag: Key study for SIDS endpoint

References Exxon Biomedical Sciences, Inc. (1996) Alkenes, C6:


Fish, Acute Toxicity Test. Study #119058. Exxon
Biomedical Sciences, Inc., East Millstone, NJ, USA
(unpublished report).

B. Test Substance

Identity: CAS No. 592-41-6, 1-Hexene

Method

Method/guideline: 96 hour semi-static toxicity test; OECD 203; ECC C1


Test type: semi-static
GLP: Yes [X ] No [ ]
Year: 1991
Species/Strain/Supplier: Oncorhynchus mykiss
Analytical Monitoring: Yes
Exposure period: 96 hr
Statistical methods: No data

Test Conditions: Minimal headspace to prevent losses through evaporation

Results: The mean measured concentration of 1-hexene in the test


media was approx 20 to 40% that of nominal
concentrations over the first 24 hours of the test but
increased to 47 to 120% for the remaining exposure
periods. Based upon mean measured concentrations of 1-
hexene in the test media the LC50 value was calculated to
be:

LC (24h) = 9.7 mg/L


50

92 UNEP PUBLICATIONS
OECD SIDS HEXENE
4. ECOTOXICITY ID: 25264-93-1
DATE: 28.04.2005
LC (48h) = 5.6 mg/L
50
LC (72h) = 5.6 mg/L
50
LC (96h) = 5.6 mg/L
50

Reliability: (2) Reliable with restrictions: Reliable laboratory but


minimal information about methods was available.

Flag: Key study for SIDS endpoint

References: Shell Research Limited (1991) 1-Hexene: Acute Toxicity


to Oncorhynchus mykiss, SBGR.91.252 (unpublished
report).

Other: This study was included in the dossier for 1-hexene at


SIAM 11.

4.2 Acute Toxicity to Aquatic Invertebrates (e.g. Daphnia)

A. Test Substance

Identity: CAS No. 68526-52-3, Alkenes C6


Remarks: Composition: C5 n-olefins = 0.5%, C5 iso-olefins = 1.3%,
C6 n-olefins = 10.4%, C6 iso-olefins = 55.6%, C5 n-
paraffins = 3.3%, C5 iso-paraffins = 9.3%, C6 iso-
paraffins = 17.8%, C7 iso-olefins = 1.0%

Method

Method/guideline
followed: OECD Guideline 202, Acute Toxicity to water Fleas,
(Daphnia magna) Under Static and Sealed Vessel
Conditions
Test type: Static
GLP: Yes
Year: 2003
Analytical Monitoring: Yes
Species/Strain: Daphnia magna
Exposure period: 48 hr
Statistical methods: If at least one concentration caused
immobilization of ≥ 50% of the test population, a
computer program (TOXSTAT Version 3.5) was used to
estimate EC50 and EL50 values using several
statistical methods (e.g., probit, Spearman-
Karber)

Test Conditions TEST ORGANISMS


- Source/supplier: Obtained from laboratory cultures
maintained at Springborn Smithers Laboratory
- Feeding: Ankistrodesmus falcatus (4 x 107cells/mL),
2.0 mL per vessel/day, in addition to a 0.5 mL
suspension of yeast, cereal leaves and flaked fish food.
- Age at study initiation: Approximately 24 hr old
- Control: A test conducted on 11 February 2003
established that the 24-hr LC50 for potassium dichromate
was between 0.10 and 10 mg/L.
STOCK AND TEST SOLUTION AND THEIR PREPARATION
- A water accommodated fraction (WAF) of each loading
rate was prepared at test initiation by spiking the

UNEP PUBLICATIONS 93
OECD SIDS HEXENE
4. ECOTOXICITY ID: 25264-93-1
DATE: 28.04.2005
appropriate volume of test substance corrected for a
density of 0.6809 g/ml, via gas-tight syringe, directly
into dilution water in a 2-L Mariotte bottle. The bottle
was filled to the neck (approx. 1% volume headspace) and
the test substance was spiked below the water/air
interface and capped immediately with a silicone stopper
wrapped in aluminum foil. The solutions were placed on a
magnetic stir plate and stirred for approximately 24 hr
with minimal vortex. The WAF was maintained at room
temperature and covered with aluminum foil. Following
stirring, the contents were allowed to settle for
approximately 15 min before the WAF was removed, slowly
from the lower side-wall drain, directly into each
exposure vessel after first discarding the initial
aliquot. Care was taken to reduce volatilization during
handling. A control solution was prepared following the
same procedures except without the addition of test
substance.
DILUTION WATER
- Source: Well water fortified based on the formula for
hard water (U.S. EPA, 1975) and filtering it through an
Amberlite XAD-7 resin column to remove any potential
organic contaminants
- Hardness: 180 mg/L as CaCO3
- Alkalinity: 110 mg/L as CaCO3
- pH: 7.9
-Specific conductivity: 500 micromhos per centimeter
- Analysis for contaminants: Periodically analyzed to
ensure that pesticides, PCBs and toxic metals are not
present at concentrations that are considered toxic.
-TOC concentration: Water sampled during the month of
the study was found to have a total organic carbon
concentration of 1.2 mg/L
TEST SYSTEM
- Temperature: 20-21°C
- Dissolved oxygen concentration: 7.7 – 8.4 mg/L
- pH: 7.8 – 8.0
- Renewal of test solution: No
- Exposure vessel type: 250 mL test solution in a 250-mL
glass Erlenmeyer flask with Teflon®-lined screw caps;
minimal headspace
- Number of replicates/individuals per replicate: 5 / 5
- Intensity of irradiation: 60-80 footcandles
- Photoperiod: 16h:8h light-dark cycle
TEST PARAMETER: Immobilization relative to the control
(defined as inability to swim within 15 seconds after
gentle agitation of test container
MONITORING OF TEST SUBSTANCE CONCENTRATION: Measured by
HPLC/UV at test initiation and termination
DEVIATIONS FROM GUIDELINE: The guideline states that the
daphnids will be <24 hr old at initiation of the test.
The maximum age of the daphnids in this study was 24.5
hrs. Most daphnids were less than 24 hr old. The 2
range-finding studies used daphnids less than 24 hrs old
and those results corroborated the results of the
definitive test, demonstrating that the deviation did
not impact the sensitivity of the definitive exposure.

Results

Nominal conc.: 6.7, 14, 27, 54, 110 mg/L (nominal loading rates)

94 UNEP PUBLICATIONS
OECD SIDS HEXENE
4. ECOTOXICITY ID: 25264-93-1
DATE: 28.04.2005
Measured conc.: 0.34, 2.4, 6.7, 12 and 19 mg/L

EL50: 20 mg/L at 48 hrs (using nominal loading rates)


EC50: 4.4 mg/L at 48 hrs (using geometric mean measured
concentrations)

Remarks: PRELIMINARY TEST: Daphnids were exposed under static


conditions to WAFs at nominal loading rates of 0.50,
2.0, 5.1 and 20 mg/L. At 48 hrs, no immobilization or
adverse effects were observed in any of the loading
rates or the control. At test initiation and test
termination, measured concentrations of the lowest
loading rate were below detectable limits, and measured
concentrations of the highest loading rate at test
initiation and termination were 2.2 and 0.82 mg/L
respectively. Based on these results, further
exploratory work was conducted to determine the optimal
procedures and loading rates for the definitive study.

DEFINITIVE TEST: Following 48 hrs of exposure, 100%


immobilization was observed among daphnids exposed to
the 3 highest treatments (nominal loading rates of 27,
54 and 110 mg/L). Immobilization of 5% was observed at
14 mg/L nominal loading rate. Adverse effects (e.g.,
lethargy, on the bottom of the test vessel) were
observed in all mobile daphnids exposed to this
concentration. No immobilization or adverse effects were
observed at the nominal loading rate of 6.7 mg/L or the
control.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References Hoberg, J.R. (2003) C6 Hexene – Acute Toxicity Test


with the Water Fleas, Daphnia magna, Under Static and
Sealed Vessel Conditions. Study No. 13761.6114,
Springborn Smithers Laboratories, Wareham,
Massachusetts, conducted for American Chemistry Council
(Higher Olefins Panel) (unpublished report).

B. Test Substance

Identity: CAS No. 592-41-6, 1-Hexene (approx. 99%)

Method

Method/guideline: 48-hr static toxicity test


Test type: Static
GLP: Yes [ ] No [X ]
Year:: 1985
Analytical Monitoring: No
Species/Strain: Daphnia magna
Exposure period: 48 hrs
Statistical methods: The LC50 values were calculated by means of a
parametric model developed by Kooijman [Kooijman,
S.A.L.M. (1981) Parametric analyses of mortality
rates in bioassays. Water Res. 15:105-119.]

UNEP PUBLICATIONS 95
OECD SIDS HEXENE
4. ECOTOXICITY ID: 25264-93-1
DATE: 28.04.2005
Test Conditions: Test media were prepared by adding test material to 500
ml of fresh water (pH ~8, hardness ~210 mg CaCO3 per
liter) and stirring for 4 hr before adding test animals
(25/glass beaker covered with a watch glass or glass-
stoppered conical flask; 20 °C; no aeration, food,
replicate or media renewal). The test animals were less
than 24 h old at the start of the test. At none of the
dose levels was test substance visible during the test
period. pH and oxygen were monitored. During the test,
oxygen concentration was >70% of saturation level.

Results: Nominal concentrations were 0, 3.2, 10, 32, 100 mg/l.


48 hr EL50 for beaker covered with watch glass = (est.)
60 mg/l;
NOEC after 48 hr = 32 mg/l (nominal)
48 hr EL50 for stoppered flask = (est.) 30 mg/l;
NOEC after 48 hr = 10 mg/l (nominal)

Reliability (2) Reliable with restrictions.


Study does not totally comply with current testing
guidelines. No chemical analyses were performed.

References: Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity


of compounds that may be carried by ships [MARPOL
1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).

Other: This study was included in the dossier for 1-hexene at


SIAM 11. Additional information has been added.

4.3 Toxicity to Aquatic Plants (e.g. Algae)

A. Test Substance

Identity: CAS No. 68526-52-3, Alkenes C6

Remarks: C5 n-olefins = 0.5%, C5 iso-olefins = 1.3%, C6 n-olefins


= 10.4%, C6 iso-olefins = 55.6%, C5 n-paraffins = 3.3%,
C5 iso-paraffins = 9.3%, C6 iso-paraffins = 17.8%, C7
iso-olefins = 1.0%

Method

Method/guideline: OECD 201, Alga, Growth Inhibition Test


Test type: static
GLP: Yes [X ] No [ ]
Year: 2003
Analytical Monitoring: yes
Species/Strain: Pseudokirchneriella subcapitata
Element basis: Number of cells/mL, area under the curve, growth
rate
Exposure period: 96 hrs
Statistical methods: Cell density was calculated by dividing the number
of cells counted by the number of fields examined.
Growth rate and biomass (area under the growth
curve) for each replicate vessel were calculated
using formulas recommended in the OECD 201 testing
guideline. EC values and their 95% confidence

96 UNEP PUBLICATIONS
OECD SIDS HEXENE
4. ECOTOXICITY ID: 25264-93-1
DATE: 28.04.2005
limits were determined by linear regression of
response versus exposure concentration expressed
as nominal loading rate and geometric mean
measured concentration over the range of test
concentrations, using the computer program,
Toxstat (Gulley, D.D., A.M. Boetler, and H.L.
Bergman (1966) Toxstat Release 3.5. University of
Wyoming, Laramie, Wyoming). To determine the NOEC,
the data were first checked for normality using
Shapiro-Wilks’ Test and, for homogeneity of
variance using Bartlett’s Test. If the data sets
passed the test for homogeneity and normality,
William’s Test (Williams, D.A. [1971] A test for
differences between treatment means when several
dose levels are compared with a zero dose control.
Biometrics 27:103-117; [1972] A comparison of
several dose levels with a zero control.
Biometrics 28:519-531) was used to determine the
NOEC. All statistical determinations were made at
the 95% level of certainty, except in the case of
Shapiro-Wilks’ and Bartlett’s Tests, where the 99%
level of certainty was applied.

Test Conditions : TEST ORGANISMS


- Strain: 1648 obtained from the University of Texas,
Austin, TX, USA.
- Initial cell concentration: 1.0 x 104 cells/mL
STOCK AND TEST SOLUTION AND THEIR PREPARATION
- A water accommodated fraction (WAF) of each loading
rate was prepared l day prior to test initiation by
adding the appropriate weight of test substance via gas-
tight syringe, directly into the test medium containing
an additional 300 mg/L of sodium bicarbonate. Each WAF
was contained in a 2.2L Mariotte bottle filled to 99%
total volume, capped with stoppers covered in aluminum
foil, placed on a magnetic stir plate and stirred for
approximately 24 hr with minimal vortex. The WAF was
maintained at room temperature and covered with aluminum
foil to avoid photodegradation during mixing. Following
stirring, the contents were allowed to settle for
approximately 15 minutes before the WAF was removed from
the drain (lower side wall) directly into the exposure
vessels. A control solution was prepared following the
same procedures except without the addition of test
substance.
GROWTH/TEST MEDIUM CHEMISTRY
- Stock solution contained (per liter): 25.5 mg NaNO3,
12.16 mg MgCl2•6H2O, 4.41 mg CaCl2•2H2O, 14.7 mg
MgSO4•7H2O, 1.368 mg K2HPO4•3H2O, 15.0 mg NaHCO3, 185.5
µg H3BO3, 1.88 µg Na2SeO4, 415.4 µg MnCl2•4H2O, 3.270 µg
ZnCl2, 1.43 µg CoCl2•6H2O, 0.012 µg CuCl2•2H2O, 7.26 µg
Na2MoO4•2H2O, 159.8 µg FeCl3• 6H2O, 300.0 µg
Na2EDTA•2H2O.
DILUTION WATER
Sterile deionized laboratory water, which is
periodically analyzed to ensure that pesticides, PCBs
and toxic metals are not present at concentrations that
are considered toxic. Water sampled during the month of
the study was found to have a total organic carbon
concentration of 0.74 mg/L

UNEP PUBLICATIONS 97
OECD SIDS HEXENE
4. ECOTOXICITY ID: 25264-93-1
DATE: 28.04.2005
TEST SYSTEM
- Exposure vessel type: 45 mL medium in 45 ml volatile
organic analysis vial closed with screw cap; zero
headspace
- Number of replicates: triplicate
- Nominal loading rates: 3.2, 6.9, 14, 27, 54 and 110
mg/L
- Test temperature: 23-24 °C
- pH: 8.3 at start and 9.6 – 10.0 at end of the test
- Intensity of irradiation: 590 – 890 footcandles (6400
– 9600 lux)
- Photoperiod: continuous
- Shaking: 100 rpm
MONITORING OF TEST SUBSTANCE CONCENTRATION: at test
initiation; 24 and 72 hrs of exposure; and end of test
(96 hr)
Method : DEVIATIONS FROM GUIDELINE: none reported
ANALYTICAL METHODS: HPLC/UV

Results:

Nominal conc.: 3.4, 6.9, 14, 27, 54, and 110 mg/L (mass of test
substance per water volume used in WAF preparation)
Measured conc.: 0.23, 1.8, 1.8, 6.3 3.6 and 5.5 mg/L (geometric mean)

EC50 (cell density): 84 mg/L (74-98) mg/L (96 h, nominal loading rate)
4.6 (4.3-5.0) mg/L (96 h, measured concentration)

NOEC (cell density): 14 mg/L (96 h, nominal loading rate)


1.8 mg/L (96 h, measured concentration)
EbC50 (biomass): 92 mg/L (25-110) mg/L (72 h, nominal loading rate)
4.9 (3.8-6.2) mg/L (72 h, measured concentration)
79 mg/L (66-88) mg/L (96 h, nominal loading rate)
4.5 (4.0-4.8) mg/L (96 h, measured concentration)

NOEC (biomass): 3.4 mg/L (72 h and 96 h, nominal loading rate)


0.23 mg/L (72 h and 96 h, measured concentration)
ErC50 (growth rate): >110 mg/L (72 h and 96 h, nominal loading rate)
>5.5 mg/L (72 h and 96 h, measured concentration)
NOEC (growth rate): 3.4 mg/L (72 h) and 14 mg/L (96 h) (nominal
loading rate)
0.23 mg/L (72 h) and 1.8 mg/L (96 h) (measured
concentration)

Remarks: - Cell density data: The 96-hr cell density in the


control averaged 223 x 104 cells/mL. Cell densities in
the 3.4, 6.9, 14, 27, 54, and 110 mg/L loading rates
averaged 217, 193, 205, 132, 143 and 89 x 104 cells/mL,
respectively.
- Cell biomass data: The 0- to 72-hr biomass in the
control averaged 99.5 x 104 cells•days/mL. Biomass in
the 3.4, 6.9, 14, 27, 54 and 110 mg/L loading rates
averaged 104.2, 75.3, 81.8, 52.4, 58.7 and 48.8 x 104
cells•day/mL, respectively. The 0- to 96-hr biomass in
the control averaged 270.9 x 104 cells•days/mL. Biomass
in the 3.4, 6.9, 14, 27, 54 and 110 mg/L loading rates
averaged 273.7, 210.1, 220.0,141.0, 162.1 and 117.3 x
104 cells•day/mL, respectively.
- Growth rate data: The 0- to 72-hr growth rate in the
control averaged 1.57 days-1. The 0- to 72-hr growth rate

98 UNEP PUBLICATIONS
OECD SIDS HEXENE
4. ECOTOXICITY ID: 25264-93-1
DATE: 28.04.2005
in the 3.4, 6.9, 14, 27, 54 and 110 mg/L loading rates
averaged 1.57, 1.42, 1.40, 1.26, 1.36 and 1.27 days-1,
respectively. Statistical analyses determined
significant reductions in the 0- to 72-hr growth rates
at ≥ 6.9 mg/L loading rate. The 0- to 96-hr growth rate
in the control averaged 1.33 days-1. The 0- 96-hr growth
rate in the 3.4, 6.9, 14, 27, 54 and 110 mg/L loading
rates averaged 1.32, 1.29, 1.31, 1.20, 1.22 and 1.10
days-1, respectively. Statistical analyses determined
significant reductions in the 0- to 96-hr growth rates
at ≥ 27 mg/L loading rate.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint

References: Hoberg, J.R. (2003) C6 Hexene – Toxicity to the


freshwater green alga,
Pseudokirchneriella subcapitata, Study No. 13761.6113,
Springborn Smithers Laboratories, Wareham,
Massachusetts, conducted for American Chemistry Council
(Higher Olefins Panel) (unpublished report).

B. TEST SUBSTANCE

Identity: CAS No. 592-41-6, 1-Hexene (Shop C6 Linear Alpha Olefin,


>96% purity)

Method

Method/guideline: 4-day growth experiment


Test type: static
GLP: Yes [X ] No [ ]
Year: 1985
Analytical Monitoring:
Species/Strain: Selenastrum capricornutum
Element basis:
Exposure period: 96 hrs
Statistical methods:

Test Conditions : S.capricornutum was taken from the axenic laboratory


culture. The culture is derived from a strain
(ATCC22662) obtained from the American Type Culture
Collection, Maryland, USA. Sixteen Erlenmeyer flasks
containing 50 ml of culture medium were prepared. To
ten of those were added quantities of stock solutions of
the 1-hexene in Analar acetone to give an approximately
logarithmically spaced series of concentrations ranging
from 1.0 to 1000 mg/L . The remaining six flasks
received no olefin and served as controls. The
concentration of acetone in all test flasks, including
the controls, was adjusted to 0.1 ml/L. Each flask was
inoculated with sufficient S.capricornutum to give an
initial concentration of 500 cells. The flasks were
incubated in a cooled, orbital incubator (100 cycles
min) under constant illumination (3000 lux) at 22-260 C
for 4 days. After 2 and 4 days incubation cell counts
were made using a Coulter counter. The pH of the test
solutions during the test was 7.1-7.5.

UNEP PUBLICATIONS 99
OECD SIDS HEXENE
4. ECOTOXICITY ID: 25264-93-1
DATE: 28.04.2005
Results: EC50 (96h) = >1000 mg/L (nominal concentration) (author
assigned)
EC50 (96h) = > solubility
EL0 (96h) = >22 mg/L (see remarks)

Remarks: The highest nominal concentration of 1-hexene tested,


1000 mg/L, did not cause reduction in cell numbers at
day 4 compared to the mean cell number at day 4 in the
controls.

Upon review of the study, it was noted that five


concentrations were tested above the water solubility of
Shop C6 Alpha Olefin (1-hexene). In light of those
concentrations being above the water solubility it was
determined to assign the EL0 (96h) with a value of > 22
mg/L. 22 mg/L was the highest nominal concentration
below the water solubility at which the substance was
tested. EL0 = effect loading based on WAF testing
procedure; no effect observed at the highest loading
indicated.

Reliability: (2) Reliable with restrictions. Study does not totally


comply with current testing guidelines. No chemical
analyses were performed.

References: Shell Research Limited (1985) Shop C6 Linear Alpha


Olefins (1-Hexene); Acute Toxicity (Salmo gairdneri,
Daphnia
magna and Selenastrum capricornutum) and N-Octanol/Water
Partition Coefficient, SBGR.85.026 (unpublished
report).

Other: This study was included in the dossier for 1-hexene at


SIAM 11. Additional information has been added.

4.4 Toxicity to Micro-organisms, e.g. Bacteria

A. Test Substance

Identity: CAS No. 592-41-6, 1-Hexene

Method

Method: According to 79/931/EEC, Annex V “Degradability, Ecotoxicity,


and Bioaccumulation, TNO, Delft, The Netherlands, 1977.
GLP: Yes
Species: Pseudomonas fluorescens
Exposure
Period: 6 hr
Analytical
Monitoring: No data

Conditions: Test substance was dissolved in ethanol to give a stock


solution containing 500g/l of SHOP C6 linear alpha olefin.
Dilutions of this solution in test medium were made such that
the final concentrations of SHOP C6 in the test were 1000,

100 UNEP PUBLICATIONS


OECD SIDS HEXENE
4. ECOTOXICITY ID: 25264-93-1
DATE: 28.04.2005
320, 100, 32, and 10 mg/l. Sodium pentachlorophenate was used
as a standard inhibitory substance. Controls containing the
microbial inoculum and no inhibitory substances were used to
assess the logarithmic growth rate of the organisms under non-
inhibitory conditions. Growth curves were constructed of the
optical density of the inoculated media versus time and the
rate determined as the slope of the exponential growth phase.

% inhibition = growth rate control- growth rate test x 100


growth rate control

Results: Maximum inhibition was 24% at 1000 mg/L

Remarks: The standard substance, sodium pentachlorophenate, inhibited


with an EC50=30 mg/l while the test substance SHOP C6 caused a
maximum inhibition of 24% at 1000 mg/l.

Reliability: (1) Reliable without restrictions.

Reference: Shell Research Limited (1985) Shop C6 Alpha Olefins: An


Assessment of Ready Biodegradability, Document SBGR.85.111
(unpublished report).

Other: This study was included in the dossier for 1-hexene at


SIAM 11.

B. Test Substance

Identity: CAS No. 592-41-6, 1-Hexene; CAS No. 111-66-0, 1-Octene;


CAS No. 872-05-9, 1-Decene; CAS No. 1120-36-1, 1-
Tetradecene (Analytical Grade)

Method

Method : Acute static bioassay


GLP: No
Type: Aquatic
Species: Thirteen marine bacteria
Exposure Period: 16 hours
Analytical Monitoring: No data

Test Conditions: Water samples collected from Cleveland and Victoria


Point on the Brisbane coast, southeastern Queensland,
Australia, were cultured on marine salts medium
solidified with 1.5% agar. Thirteen different marine
bacteria were isolated and transferred to new media.
This culture was maintained at 30°C and subcultured
weekly. The test articles were dissolved in ethanol and
added to media (maximum 0.1 ml in 50 ml). 0.1 mg of
bacterial culture containing 8 x 1010 bacteria per ml
was added. Each experiment was performed in triplicate.
Controls consisting of bacteria inoculated into the
medium, without test compounds, both with and without
ethanol were run simultaneously. Absorbance at 600 nm
was determined, followed by incubation without shaking
at 30°C. After 16 hours, the absorbance was remeasured
and the differences were calculated and expressed as a

UNEP PUBLICATIONS 101


OECD SIDS HEXENE
4. ECOTOXICITY ID: 25264-93-1
DATE: 28.04.2005
percentage of the difference in absorbance of the
control. These data were then converted to Probit units
and least-squares linear regression equation against
toxicant concentration was obtained. From these
regression equations, the effective concentration of the
test compound that inhibits bacterial growth by 50 and
/or 10% (EC50 and EC10, respectively) was determined.

Results: Only 1-hexene exerted a toxic effect [log EC10 = -0.49];


however, the calculated log EC50 was 0.46, indicating a
value >100% saturation in sea water. The other 1-alkenes
were not toxic up to levels of 100% saturation.

Reliability: (1) Reliable without restrictions

Reference: Warne, M. St. J. Connell, D.W., Hawker, D. W., and G.


Schuurmann (1989) Quantitative Structure-Activity
Relationships for the Toxicity of Selected Shale Oil
Components to Mixed Marine Bacteria. Ecotoxicology and
Environmental Safety, 17: 133-148.

Other: This study was included in the dossiers for 1-hexene and
1-tetradecene at SIAM 11. Additional information has
been added.

4.5 Chronic Toxicity to Aquatic Organisms

A. Chronic Toxicity to Fish

Test Substance: CAS No. 25264-93-1, hexene

Method/Guideline:

Type (test type): 30-day Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000b)

Species: Fish

Test Conditions: The program uses structure-activity relationships (SARs)


to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 3.07, which was estimated by EPIWIN using the
structure for 2-hexene.

Results:

Units/Value: Estimated 30-day ChV = 942 µg/L

Flag: Key study for SIDS endpoint

102 UNEP PUBLICATIONS


OECD SIDS HEXENE
4. ECOTOXICITY ID: 25264-93-1
DATE: 28.04.2005
Reliability: (2) Reliable with restrictions. The result is calculated
data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

B. Chronic Toxicity to Aquatic Invertebrates

Test Substance: CAS No. 25264-93-1, hexene

Method/Guideline:

Type (test type): 16-day EC50 value calculated using the computer program
ECOSAR, version 0.99g included in the EPI Suite
software, v 3.11 (EPIWIN, 2000b)

Species: Daphnia magna

Test Conditions: The program uses structure-activity relationships (SARs)


to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 3.07, which was estimated by EPIWIN using the
structure for 2-hexene.

Results:

Units/Value: Estimated 16-day EC50 = 582 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is calculated


data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

4.6 Toxicity to Terrestrial Organisms

A. Toxicity to Terrestrial Plants.

Test Substance: CAS No. 25264-93-1, hexene

Method/Guideline:

UNEP PUBLICATIONS 103


OECD SIDS HEXENE
4. ECOTOXICITY ID: 25264-93-1
DATE: 28.04.2005
Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000b)

Species: Green algae

Test Conditions: The program uses structure-activity relationships (SARs)


to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 3.07, which was estimated by EPIWIN using the
structure for 2-hexene.

Results:

Units/Value: Estimated 96-hr ChV = 876 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is calculated


data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

B. Toxicity to Soil Dwelling Organisms.

No data available

C. Toxicity to Other Non Mammalian Terrestrial Species (including Avian)

No data available

4.7 Biological EffectsMonitoring (including Biomagnification)

No data available

4.8 Biotransformation and Kinetics

No data available

104 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
5.1 Toxicokinetics, Metabolism and Distribution

A. Test Substance: CAS No. 592-41-6, 1-Hexene (NEODENE 6 alpha olefin)

Method
Test Type In-vitro
GLP No
Year 1984

Method: Shell Protocol 61, using Biuret reagent

Test Conditions: Microsomes were prepared from livers of adult, male


Fischer-344 rats, approximately 225 grams, pretreated
with Phenobarbital. Incubations were carried out in
sealed serum bottles. Reaction mixtures contained:
microsomal protein (1mg/ml), KCl (150 mM), EDTA (1.5
mM), Na/K phosphate buffer (0.1M, pH 7.4), 1-hexene in
ethanol (0.1-4mM)

Results: NEODENE 6 alpha olefin (1-hexene) was tested in an in


vitro system and was demonstrated to cause the
autocatalytic ("suicidal") destruction of cytochrome
P-450 and heme in hepatic microsomes from phenobarbital
pretreated rats. The destructive process was time
dependent, saturable and required NADPH. Destruction
was inhibited by metyrapone and carbon monoxide but not
by glutathione. Reduced oxygen tension did not prevent
the loss of cytochrome P-450. NEODENE 6 alpha olefin
was shown to be a substrate for cytochrome P-450 by its
binding spectrum to the cytochrome.

Reliability: (1) Reliable without restriction

Reference: Shell Development Company (1984) In vitro


Destruction of Hepatic Cytochrome P-450 and Heme by
NEODENE 6 Alpha Olefin, WRC-814, (unpublished report).

Other: This study was included in the dossier for


1-hexene at SIAM 11. Additional information has been
added.

B. Test Substance: CAS No. 592-41-6, 1-Hexene

Method

Test Type: In vivo


GLP No data available
Year 1995

Method: Some olefins have been shown to be metabolized to


epoxides. For example, ethylene and propylene have been
shown to be metabolized to their corresponding oxides by
the presence in animals of the corresponding hemoglobin
and DNA adducts. Absorption, distribution, elimination
and hemoglobin and DNA adduct formation were studied in
the rat after inhalation of individual C2 - C8 1-alkenes
[including 1-hexene] at 300 ppm, 12 hr /day for 3
consecutive days. Concentrations of olefins were

UNEP PUBLICATIONS 105


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
measured in blood, lung, brain, liver, kidney and
perirenal fat immediately after each exposure and 12 h
after the third exposure.

Results: Concentrations of olefins reached steady state levels


after the first 12 hr of exposure, and the
concentrations 12 hr after the last exposure were
generally low (<3% of the concentrations immediately
after exposure), except in the fat. Concentrations of
1-alkenes in blood and tissues increased with increasing
number of carbon atoms. In contrast, levels of
hemoglobin and DNA adducts decreased with increasing
number of carbon atoms. The decrease was most
pronounced from C2 to C3.

Concentrations of individual 1-alkenes after the third


daily 12 hr exposure to 300 ppm and concentrations in
fat 12 hr after the third exposure (n=4). All
concentrations are in µmol/kg; nd = not detectable
(detection limits not provided)

Chemical Blood Liver Lung Brain Kidneys Fat Fat 12


hr after
3rd
exposure
Ethene 0.3 0.4 2.3 0.7 0.7 7 nd
Propene 1.1 0.3 2.9 1.7 1.8 36 nd
1-Butene 1.9 0.8 4.9 3.0 5.7 70 0.3
1- 8.6 51.6 31.4 41.0 105.7 368 19
Pentene
1-Hexene 18.2 66.8 59.7 59.7 188.0 1031 77

1- 37.0 138.3 85.6 109.3 269.3 2598 293


Heptene
1-Octene 60.1 443.7 202.4 270.0 385.1 4621 943

Remarks: The increased retention in fat of 1-alkenes with higher


carbon numbers is presumably a function of their
increased lipophilicity, and decreased likelihood to be
exhaled unchanged, compared to the lower volatile 1-
alkenes. Since unchanged 1-alkenes are not considered
to be toxic, and because tissue levels rapidly cleared
after exposure ceased, this concentration, especially in
fat tissues, is unlikely to have any biological effect.
An implication of the metabolic formation of an epoxide,
as determined by hemoglobin and DNA adducts, is that the
1-alkenes are likely to be genotoxic. However ethylene,
which formed these adducts to a much greater extent than
the higher homologs, has been specifically investigated
in lifetime animal cancer bioassays at concentrations up

106 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
to 3000 ppm, and determined to be negative [Hamm, T.E.
Jr., Guest, D, and Dent, J.G. (1984) Fundam. Appl.
Toxicol. 4(3 Pt 1):473-8]. It is highly unlikely that
the higher homologs, including 1-hexene, will be
genotoxic or carcinogenic under these conditions.

Reliability: (1) Reliable without restrictions.

Reference: Eide, I., R. Hagerman, K. Zahlsen, E. Tareke, M.


Tornquist, R. Kumar, P. Vodicka and K. Hemminki (1995)
Uptake, distribution, and formation of hemoglobin and
DNA adducts after inhalation of C2-C8 1-alkenes
[olefins] in the rat. Carcinogenesis. 16, 1603 - 1609.

Other: This study was included in the dossier for 1-hexene at


SIAM 11. Additional information has been added.

5.2 Acute Toxicity

A. Acute oral toxicity

(1) Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene (NEODENE 6 alpha


olefin)

Method

Method/guideline: OECD 401


Type (test type): LD50
GLP: Yes [X ] No [ ]
Year: 1982
Species/Strain: Rat/F344
Sex: Males and females
No. of animals per
sex per dose: 5

Vehicle:
Route of
administration: oral gavage

Test Conditions: No data

Results:

Value: LD50 > 5.6 g/kg


Number of deaths
at each dose level: No deaths in 5 males or 5 females at 5.6
g/kg

Remarks: No treatment-related gross pathology

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint.

UNEP PUBLICATIONS 107


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
References: Shell Development Company (1982) Acute Oral
Toxicity of NEODENE 6 Alpha Olefin in the Rat,
WTP-120 (unpublished report).

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added.

(2) Test Substance

Identity (purity):CAS# 558-37-2, Neohexene (3,3-dimethylbutene-1,


98.5% purity)

Method

Method/guideline: OECD 401


Type (test type): LD50
GLP: Not specified
Year: 1982
Species/Strain: Rat/Sprague-Dawley
Sex: Males and females
No. of animals per
sex per dose: 5

Vehicle: None
Route of
administration: oral gavage

Test Conditions: One group of five rats/sex was dosed orally at a


level of 5000 mg/kg of body weight. At initiation
of the study, the males weighed 270 to 294 g and
the females 202 to 233 g The animals were observed
at 1, 2, and 4 hours after dosing, and daily for a
period of 14 days for mortality and signs of
systemic toxicity. Body weights were recorded
prior to treatment and at 7 and 14 days. The
animals were necropsied at the end of the 14-day
period and observed for gross abnormalities.
Statistical methods were not specified.

Results:

Value: LD50 > 5 g/kg


Number of deaths
at each dose level: No deaths in 5 males or 5 females at 5 g/kg

Remarks: Clinical signs of toxicity noted 1 hour after


dosing included depression, soft feces, a hunched
appearance, and rough fur coat. All animals
appeared normal from Day 2 through termination of
the study. All animals gained weight during the
study. There were no significant findings at
necropsy.

Reliability: (1) Reliable without restrictions

References: Hazleton Laboratories America, Inc. (1982).


Neohexene: Acute Oral Toxicity Study in Rats.
Conducted for Phillips Petroleum Company,
(unpublished report).

108 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005

B. ACUTE INHALATION TOXICITY

(1) Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene

Method

Method/guideline: 4-hr exposures to seven different concentrations


in a dynamic exposure system.
Type (test type): LC50
GLP: Yes [ ] No [X ]
Year: 1967
Species/Strain: Rat/Wistar
Sex: Males
No. of animals per
sex per dose: 10

Vehicle: None
Route of
administration: Inhalation

Test Conditions: Groups of 10 male rats weighing between 200 and


290 g (age not specified) were exposed to various
vapor concentrations of 1-hexene for 4 hours.
During exposure, animals were observed for toxic
signs, and fatalities were autopsied after the
exposure was terminated. Survivors were observed
and weighed periodically for 14 days and then
sacrificed for determination of gross pathological
change. Concentrations were established by
preparing saturated vapors and diluting with air
to the desired degree. After equilibration of the
chamber, the animals were introduced. During the
exposure, several air samples were withdrawn from
the changer, further diluted by a known amount
with air to bring the resulting concentration
below the L.E.L. (Lower Explosive Limit), and
passed through an M.S.A. Combustible Gas Indicator
which had been calibrated for 1-hexene. This
analytically derived chamber concentration was
compared with the theoretical chamber
concentration based on weight loss of the bubbler
and the total amount of air passing through the
chamber for the given operating situation. The
acute vapor toxicity for a 4- hr exposure was
estimated by plotting the percentage mortality vs
chamber concentration and applying the Litchfield
method to obtain the LC50.

Results:

Value: LC50: 32,000 ppm (110 mg/L)


Number of deaths
at each dose level: See table below.

UNEP PUBLICATIONS 109


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
Remarks: No treatment-related gross pathology

Concentration 0 27600 28600 30500 33200 37000 41200


(ppm):
Mortality 0/10 0/10 2/10 5/10 7/10 8/10 10/10

Onset of None 15 20 20 10 10 5
anesthesia,
min
Time range of None >240 120- 90- 60- 60- 40-
death, min 240 240 240 235 235
Bodyweight +55% +50% +48% +50% +55% +45% --
changes at
Day 14

Reported vapor concentrations were nominal values


based on the total airflow and the weight loss of
the vapor generator. Vapor concentration values
obtained with a calibrated combustible gas
analyzer were similar to or slightly greater than
the nominal values.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint.

References: Rinehart, W.E. (1967) Toxicological Studies on


Several Alpha Olefins. University of Pittsburgh,
submitted to Gulf Research and Development Co.
(unpublished report).

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added.

(2) Test Substance

Identity (purity): CAS No. 68526-53-4; Alkenes, C6-8, C7 rich

Method

Method/guideline: Not specified


Type (test type): LC50
GLP: Pre-GLP
Year: 1979
Species/Strain: Swiss albino Mice, Sprague-Dawley Rats, Hartley
Guinea Pigs
Sex: Males and Females
No. of animals
per sex per dose: 5

Vehicle: None
Route of
administration: Inhalation

Test Conditions: Age of the test animals was not reported. Body
weights ranged from 17 to 23g (mice), 187 to 260g
(rats), and 293 to 381g (guinea pigs) at

110 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
initiation of the study. Animals were given single
doses of test material vapor at a concentration of
42.3 mg/L for 6 h. Control animals (5/sex/species)
were exposed to clean air as a sham exposure.

Room air, at a flow rate of 134 L/minute was


bubbled through test material in a flask to
produce a vapor-laden airstream that was directed,
undiluted, into the exposure chamber. The nominal
exposure concentration was calculated by dividing
the mass of test material consumed by the total
volume of air passing through the chamber. For
the purpose of this study, the test material was
considered to be free of impurities.

Animals were observed throughout the exposure


period for signs of toxicity. Following the
exposure period, animals were observed for signs
of toxicity daily for 14 days. Body weights were
recorded on Days 0, 1, 2, 4, 7, and 14. Gross
necropsies were performed on any animals that died
during the study and all animals at the completion
of the study. During the necropsies, the lungs
with trachea, kidneys, and liver were preserved
for possible histopathological examination.

The statistics used to analyze the data were not


reported.

Results:

Value: LC50 > 42.3 mg/L for 6 h (10,533 ppm)


Number of deaths
at each dose level: One female mouse died 1 hr into the exposure
period. Two guinea pigs (1 male and 1
female) died by 45 minutes into the exposure
period.

Remarks: In mice, exposure to 42.3 mg/L of the test


substance resulted in one female death one hour
into the exposure period. All other mice survived
until the end of the study. None of the rats died
during the study. Two guinea pigs (one male, one
female) died by 45 minutes into the exposure
period. The remaining guinea pigs survived until
the end of the study. All exposed species
exhibited signs of systemic toxicity including
labored breathing, prostration, body tremors, and
ataxia during the exposure. However, in the
surviving animals, these signs completely reversed
within 24 hours following the exposure. Liver
discoloration was noted upon necropsy in the mouse
and the two guinea pigs that died during the
exposure. Otherwise, no significant findings were
observed at necropsy. Under conditions of this
study, Alkenes, C6-8, C7 rich have a low order of
acute inhalation toxicity in rodents.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

UNEP PUBLICATIONS 111


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005

References: Bio/dynamics, Inc. (1979) An Acute Inhalation


Toxicity Study of MRD-ECH-78-32 in the Mouse, Rat,
and Guinea Pig. Conducted for Exxon Research and
Engineering Company (unpublished report).

(3) Test Substance

Identity (purity): CAS# 558-37-2, Neohexene (3,3-


dimethylbutene-1, 98.5% purity).

Method

Method/guideline: OECD 403


Type (test type): LC50
GLP: Not specified
Year: 1982
Species/Strain: Rat/Sprague-Dawley
Sex: Males and Females
No. of animals
per sex per dose: 5

Vehicle: None
Route of
administration: Inhalation

Test Conditions: One group of five rats/sex (mean body weight:


276.6 g for male, 206.6 g for female) was placed
in a 38 liter exposure chamber and exposed for
four hours to the maximum practical vapor
concentration (51,000 ppm). Analytical chamber
concentrations were measured using a total
hydrocarbon monitor (method or frequency not
specified). The animals were observed hourly
during the exposure and twice daily for a period
of 14 days for mortality and signs of systemic
toxicity. Body weights were recorded prior to
treatment and at 2, 3, 4, 7, and 14 days. The
animals were necropsied at the end of the 14-day
period and observed for gross abnormalities.
Statistical methods were not specified

Results:

Value: LC50: >51,000 ppm (176 mg/L)


Number of deaths
at each dose level: No animals died during the study.

Remarks: The mean analytical exposure concentration was


51,000 ppm. All the rats were observed prostrate
in their cages during the exposure. All animals
appeared normal throughout the post-exposure
observation period. All animals gained weight
during the study except the females at the Day 3
interval (slight group mean weight loss). There
were no significant findings at necropsy.

Reliability: (1) Reliable without restrictions

112 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
References: Hazleton Laboratories America, Inc. (1982)
Neohexene: Acute Inhalation Toxicity Test in Rats.
Conducted for Phillips Petroleum Company (
unpublished report).

C. Acute dermal toxicity

(1) Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene (NEODENE 6 alpha


olefin)

Method

Method/guideline: OECD 402 [except that four males and four females
were listed]
Type (test type): LD50
GLP: Yes
Year: 1982
Species/Strain: Albino rabbits/New Zealand White
Sex: Males and females
No. of animals
per sex per dose: 4

Vehicle: None
Route of
administration: Dermal

Test Conditions: No data

Results:

Value: LD50 > 2 g/kg


Number of deaths
at each dose level: No mortalities were observed.

Remarks: No deaths or signs of systemic toxicity at


2.0 g/kg; no treatment-related gross pathology
except at application site. Skin irritant effects
observed in the test animals included minimal
erythema and edema following removal of the
wrappings at 24 hours. No skin irritant effects
were evident at 14 days and body weight gain was
not affected.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Shell Development Company (1982) Acute Dermal


Toxicity of NEODENE 6 Alpha Olefin in the Rabbit,
WTP-124 (unpublished report).

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added.

(2) Test Substance

Identity (purity): CAS No. 68526-53-4; Alkenes, C6-8, C7 rich

UNEP PUBLICATIONS 113


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005

Method

Method/guideline: Not specified


Type (test type): LD50
GLP: Pre-GLP
Year: 1978
Species/Strain: New Zealand White rabbits
Sex: Males and females
No. of animals
per sex per dose: 2

Vehicle: None
Route of
administration: Dermal

Test Conditions: Test animals were at least 9 weeks old and weighed
between 2.2 and 3.3kg at the start of the study.
Concentration levels were 200 and 3160 mg/kg.
Undiluted test material was applied to clipped,
abraded abdominal skin under gauze and thick
plastic. Following the 24-hour exposure period,
the wrapping was removed and the exposed area was
wiped to remove residue. Animals were observed
for gross signs of irritation and systemic
toxicity 1,2,3, and 4 hours post dose and daily
for 7 days. Following the post-exposure
observation period, animals were weighed,
sacrificed and necropsied. Throughout the study,
food and water were available at all times and
animals were housed individually. Statistics used
to evaluate the data were not reported.

Results:

Value: LD50 > 3160 mg/kg


Number of deaths
at each dose level: No mortalities were observed at any dose
tested.

Remarks: Lethargy and ataxia were observed in all animals,


but these symptoms cleared by Day 2. Dermal
reactions were generally moderate at 200 mg/kg and
cleared by Day 14. In the high dose group, more
severe dermal reactions, including moderate edema
and severe erythema, persisted through the study.
No significant fluctuations in body weight
occurred. Necropsy findings were unremarkable
except for a pus-filled liver in 1 rabbit from the
high dose group. Under the conditions of this
study, Alkenes, C6-8, C7 rich have a low order of
acute dermal toxicity.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: MB Research Laboratories, Inc. (1978) Alkenes, C6-


8, C7 Rich: Acute Dermal Toxicity in Albino
Rabbits (unpublished report).

114 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005

D. Acute toxicity, other routes

No data available

5.3 Corrosiveness/Irritation

A. Skin Irritation/Corrosion

(1) Test Substance: CAS No. 592-41-6, 1-Hexene (NEODENE 6 alpha


olefins)

PH: Not applicable

Method

Test Type: OECD 404 except that the exposure was 24 hours,
dressing was occlusive, and skin was evaluated
only at 24 and 72 hours.
GLP: Yes
Year: 1982

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Males and females
Number of animals
per sex per dose: 3

Total dose: 0.5 ml undiluted test substance per site


Vehicle: None
Exposure time period: 24 hrs
Grading scale: Draize

Method Remarks: Irritancy observed at 24 and 72 hours. Six New


Zealand White rabbits, obtained from Nichols
Rabbitry, Lumberton, TX, were clipped of all hair
of the back/trunk area 24 hours prior to
application of test substance. On dosing day (Day
0) the exposed region of the rabbbit’s back was
divided into four quadrants. Immediately prior to
exposure, the areas within quadrants 2 and 3 were
abraded using a 20 gauge hypodermic needle.
Abrasion, made in a “tic-tac-toe” pattern were
deep enough to penetrate the stratum corneum, but
not deep enough to penetrate the underlying derma
or to cause bleeding. Areas of quadrants 1 and 4
were left intact. A 0.5 ml sample of undiluted
test material was applied to each of four 1 by 1
inch squares of surgical gauze, and then placed on
the skin of each exposure site. Patches were held
in place with Blenderm tape. The entire trunk
area was covered in impervious covering, secured
with Blenderm, and wrapped with an elastic
bandage. After 24 hours, all dressings were
removed and the test area was wiped with a moist
towel. Fifteen to twenty minutes after removal of

UNEP PUBLICATIONS 115


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
dressings, the exposure sites were evaluated for
erythema and edema using the Draize method. Sites
were also evaluated at 72 hours following exposure
using the same scoring table.

Results: The maximum score for any animal was at 24 hours


and was 2 for erythema and 0 for edema. The
Draize primary irritation score (range 0 - 8.0)
was 0.975.

Reliability: (1) Reliable without restrictions

Reference: Shell Development Company (1982) Primary Skin


Irritation of NEODENE 6 Alpha Olefin in the
Rabbit, WTP-121 (unpublished report).

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added.

(2) Test Substance: CAS No. 592-41-6, 1-Hexene (Shop Olefin C6), >99%
1-hexene

PH: Not applicable

Method: 4-hr skin irritancy

Test Type: In-vivo


GLP: No
Year: 1985

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Male and female, aged 3-6 months
Number of animals
per sex per dose: 3

Total dose: 0.5 ml undiluted test material


Vehicle: None
Exposure time period: 4 hr
Grading scale: Draize

Method Remarks: Irritancy observed at 24, 48 and 72 hours. Dorsal


hair between the shoulders and hindquarters was
shaved. A 2 cm x 2 cm lint patch with 0.5 ml of
the test material was applied. The patch and
surrounding skin were covered by a single layer of
gauze and held in place with elastic adhesive
bandage.

Results: 4 hour skin irritancy observed at 24, 48 and 72


hours was 0 for erythema and edema.

Reliability: (1) Reliable without restrictions

116 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
Reference: Shell (1985) Toxicology of Shop Olefin: The Skin
Irritancy of Shop Alpha Olefin C6; C18; and Shop
Olefins 103, SBGR 85.166 (unpublished report).

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added.

(3) Test Substance: SHOP C68 Internal Olefin

Remarks: CAS No. 25377-72-4, (Pentene=1.9%); CAS No. 25264-


93-1, (Hexene=43.3%), CAS No. 25339-56-4,
(Heptene=21.7%) and 25377-83-7 (Octene=31.7%),
and CAS No. 27215-95-8 (Nonene=1.4%)

Method: OECD Guidelines, Section 404 and Section B4 of


Directive 92/69/EEC

Test Type: in vivo


GLP: Yes
Year: 1995

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Female
Number of animals
per dose: 3
Total dose: 0.5 ml
Vehicle: None
Exposure time period: 4 hrs
Grading scale: Draize

Method Remarks: At the start of the study, the three month old
animals supplied by Froxfield SPF Rabbits,
Hampshire, England, weighed 2.37 to 2.68 kg.
Animals had free access to a commercially
available standard pelleted rabbit diet and tap
water taken from the public supply. During the
acclimatization period, the health status of each
animal was monitored and a record kept. Each
animal was examined for abnormality or irritation
of the dermal test site before allocation to
study. On the day before the dosing, the dorsum
between the limb girdles was clipped (chemical
depilatories were not used). Two test areas were
marked on either side of the clipped area of
dorsum. A single dose was applied directly to the
skin and covered by an unmedicated gauze patch
which was held in place on the left test site by
strips of Blenderm. The right test site, acting
as a control, was covered by a similar semi-
occlusive dressing but otherwise remained
untreated. Pads of cotton wool and elasticated
bandage were used to protect the patches and
ensure good contact between the skin and the test
material during the four-hour exposure period.
The elasticated bandage was held in place by thin

UNEP PUBLICATIONS 117


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
strips of waterproof plaster (Blenderm) at both
edges. Four hours after application, the treatment
sites were gently washed with warm water and dried
with paper tissues to remove excess test material
adhering to the skin. Assessment of skin irritation
responses at the control and treated test sites
were made at 1, 24, 48, and 72 hours after removal
of the bandages. Additional observations of
persistent effects of treatment were made on Days
7, 10 and 13. Reactions of the test sites were
assessed according to the criteria of Draize.

Results: The test material induced very slight to slight


erythema and edema during the first 72 hours after
bandage removal. Two animals had a score of 2 for
erythema at 48 hours. There were no other dermal
findings. Very slight erythema (score 1) persisted
in one animal to Day 7. Exfoliation was evident in
all animals on Day 7 and two on Day 10. The test
sites of all animals were overtly normal on Day 13.

Under the conditions of the test, SHOP C68 was


considered to be slightly irritating.

Reliability: (1) Reliable without restrictions

Reference: Huntington Life Sciences Ltd, (1996) SHOP C68


Internal Olefins: Skin Irritation in the Rabbit;
Performed for Shell Chemical Co. (unpublished
report).

B. Eye Irritation/Corrosion

(1) Test Substance: CAS No. 592-41-6, 1-Hexene (NEODENE 6 alpha


olefin)

pH: Not applicable

Method: OECD 405, 3 male and 3 female – unwashed; 3 males


- washed

Test Type: In-vivo


GLP: Yes
Year: 1982

Test Conditions

Species: Albino rabbits


Strain: New Zealand White
Cell type:
Sex: Male and female
Number of animals
per dose: 9 (6 unwashed and 3 washed)

Dose(s) used: One tenth milliliter of undiluted test material


was placed into the right eyes of 3 male and 3
female rabbits. The eyes of an additional group
of 3 male rabbits was flushed with tap water 30
seconds after exposure.
Vehicle: None

118 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
Observation period: The eyes were examined and scored for
irritation one hour and 1, 2, 3, and 8 days
after treatment.
Scoring method used: Draize

Results: The maximum total Draize score for any animal was
8 at 1 hour. The maximum average total Draize
score (range 0 - 110) occurred at 1 hour, and was
5.0 for unwashed and 5.3 for washed eyes - “mildly
irritating”.

Remarks: Washing did not reduce irritation.

Reliability: (1) Reliable without restrictions

Reference: Shell Development Company (1982) Eye Irritation


of NEODENE 6 Alpha Olefin in the Rabbit, WTP-122
(unpublished report).

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added.

(2) Test Substance: SHOP C68 Internal Olefin

Remarks: CAS No. 25377-72-4, (Pentene=1.9%); CAS No. 25264-


93-1, (Hexene=43.3%), CAS No. 25339-56-4,
(Heptene=21.7%) and 25377-83-7 (Octene=31.7%),
and CAS No. 27215-95-8 (Nonene=1.4%)

Method: OECD Section 405 and Section B5 of Directive


92/69/EEC

Test Type: in vivo


GLP: Yes
Year: 1995

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Female
Number of animals
per dose: 3

Dose(s) used: 0.1 ml


Vehicle: None
Observation period: 72 hrs
Scoring method used: Draize scoring at 24, 48, and 72 hours after
treatment

Remarks: At the start of the study, the four month old


animals supplied by Froxfield SPF Rabbits,
Hampshire, England, weighed 2.80 to 3.35 kg.
Animals had free access to a commercially
available standard pelleted rabbit diet and tap
water taken from the public supply. During the
acclimatization period, the health status of each
animal was monitored and a record kept. Each

UNEP PUBLICATIONS 119


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
animal was subjected to a single ocular
instillation of 0.1 ml of the test material.
Ocular reactions were assessed 1, 24, 48, and 72 h
ours after treatment.

Results: Very slight or slight conjunctivitis was observed


in all animals one hour after instillation,
persisting in one animal to the 48 hour
examination. The treated eye of each animal was
overtly normal by the 72 hour examination. At hour
1, one animal had a score of 2 for redness, two
had scores of 1. At 24 hours, 1 rabbit had scores
of 1 for redness, 2 animals had scores of 0. At 48
hours, 1 animal had scores of 1 for redness, all
other scores were 0. At 72 hours, all scores were
0. Classified as non-irritating.

Reliability: (1) Reliable without restrictions

Reference: Huntington Life Sciences Ltd, (1996) SHOP C68


Internal Olefins: Eye Irritation in the Rabbit;
Performed for Shell Chemical Co. (unpublished
report).

5.4 Skin Sensitisation

A. Test Substance: CAS No. 592-41-6, 1-Hexene (1% w/w in ethanol, NEODENE
6 alpha olefin)

Method: OECD 406 - Buehler


Test Type: In-vivo
GLP: Yes
Year: 1982

Test Conditions

Species: Guinea pig


Strain: Duncan-Hartley albino
Sex: Male and female
Number of animals
per sex per dose: 5

Route of
administration: Topical occlusive

Induction conc.: 1%
Induction vehicle: ethanol
Challenge conc.: 1%
Challenge vehicle: ethanol
Grading system used: 0 = no reaction

+/- = minimal erythema

1 = slight erythema

2 = moderate erythema

3 = moderate erythema with slight edema

4 = severe erythema with moderate edema

120 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005

Method remarks: DNCB was used as a positive control. A preliminary test


was conducted during the third week of the pre-trial
period using 6 animals at three different concentrations
(1 male, 1 female at each concentration) to determine
the non irritating dose level. Groups of 5 male and 5
female Duncan Hartlley albino guinea pigs, weighing 399
to 461 grams, were treated with 0.5 ml of 1% w/w 1-
hexene in absolute ethanol, 0.5 ml of 0.1% w/v 2,4-
dinitrochlorobenzene, or 0.5 ml absolute ethanol. The
exposure sites were shaved (48 hours) and depilated (24
hours) prior to exposure. Sensitizing doses were
applied topically under occlusive bandages (gauze pad
secured with Blenderm surgical tape) one day a week,
six hours per day for 3 consecutive weeks. After a two-
week rest period following the last sensitizing dose, a
challenge dose was given in the same manner as the
sensitizing dose on the original site and on a virgin
site. At this time only, a separate group was treated
with 0.5 ml 1% w/w 1-hexene in absolute ethanol at one
site to serve as an irritation control.

Results: Negative for sensitization

Grades: 0 for all animals

Results Remarks: Number of animals with skin reaction at challenge: 0/10


Number of animals with skin reaction in control group at
challenge: 0/10
The control group exhibited slight irritation caused by
ethanol; the scores decreased over the 5 week period
from 0.03 at week 1 to 0.00 at week 5. The average skin
reaction scores for the positive control group were
0.53 at week 1 and 1.34 at week 5, indicating a positive
skin sensitizing reaction. The test group exhibited
slight irritation caused by 1-hexene; however, the group
had only one +/- score at week 1 and week 3. The scores
decreased over the 5 week period from 0.03 at week 1 to
0.00 at week 5. No irritation was observed in the
irritation control group.

Reliability: (2) Reliable with restrictions: Animals were examined


for health and suitability five days prior to treatment
rather than “within 3 days prior to test.” Protocol
indicated that a total of 48 guinea pigs would be
required for the study; however, only 46 animals were
used.

Reference: Shell Development Company (1982) Guinea Pig Skin


Sensitization of NEODENE 6 Alpha Olefin, WTP-123
(unpublished report).

Other: This study was included in the dossier for 1-hexene at


SIAM 11. Additional information has been added.

B. Test Substance: SHOP C68 Internal Olefin

UNEP PUBLICATIONS 121


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
Remarks: CAS No. 25377-72-4, (Pentene=1.9%); CAS No. 25264-93-1,
(Hexene=43.3%), CAS No. 25339-56-4, (Heptene=21.7%) and
25377-83-7 (Octene=31.7%), and CAS No. 27215-95-8
(Nonene=1.4%)

Method: OECD Guidelines, Section 406 and Section B6 of Directive


92/69/EEC

Test Type: Magnusson and Kligman


GLP: Yes
Year: 1995

Test Conditions

Species: Albino Guinea pig


Strain: Dunkin-Hartley
Sex: Males and females
Number of animals
per sex: 10 each in test group; 5 each in control group

Route of
administration: Topical

Intradermal
Induction conc.: 50%
Intradermal
Induction vehicle: Paraffin oil
Topical
Induction conc.: 100%
Topical
Induction vehicle: none
Challenge conc.: 100% and 30%
Challenge vehicle: Paraffin oil
Positive control: none
Grading system used: Draize

Method remarks: The dorsal trunk and flanks of the 6-8 week old animals,
weighing 302-380 grams were clipped on the day prior to
dosing. Four males and four females were dosed at 0.4
ml/site at concentrations of 2.5%, 5%, 10%, 25%, and 50%
under occlusion with test material for a period of six
hours and examined and graded in accordance with the
Draize method at 24 and 48 hours after completion of
exposure.

A Test Group of 10 male and 10 female animals was dosed


topically at 0.4 ml/site under occlusion with test
material once per week for three weeks, a total of three
induction exposures. A Positive Control Group of 6
males and 6 females was dosed with dinitrochlorobenzene
(DNCB). Doses were applied under 25-mm Hill Top
Chambers®, with adhesive backs removed, occluded with
plastic wrap and overwrapped with Elastoplast® tape. The
period of exposure was six hours, after which the
bandages were removed, and the sites wiped with
disposable paper towels moistened with tepid tap water.
The test material concentration used for induction and
dosing (100% and 0.1% in acetone, respectively) were
selected based on the irritation rangefinding phase.

122 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
Two weeks after the last induction exposure, Test Group
animals were challenge dosed by topical application of a
known essentially nonirritating concentration of the
test material to previously unexposed areas of skin for
six hours. The Positive Control Group was induced and
challenged on a similar regimen as the Test Group with
DNCB. Reactions to challenge dosing were evaluated at
approximately 24 and 48 hours after completion of each
exposure.

Results: Negative for sensitization

Grades: See remarks

Results Remarks: Intradermal injection of 50% v/v SHOP C68 in paraffin


oil gave rise to isolated cases of slight or moderate
erythema and pallor; a similar administration of 50% v/v
SHOP C68 in the adjuvant resulted in slight or moderate
erythema, pallor, discoloration, eschar formation and
edema. The entire suprascapular region of five animals
was edematous.

Occluded topical induction application of SHOP C68 gave


rise to slight erythema and exfoliation.

Challenge application of test material gave rise to a


positive response (slight erythema or a more marked
reaction) in sixteen test and four control animals.
Challenge of test material in paraffin oil caused a
positive response in five test and no control animals.
Challenge application of paraffin oil alone caused a
positive response in one test and no control animals.
Re-challenge application of 50% v/v SHOP C68 in paraffin
oil caused a positive response in two test and one
control animals. Re-challenge application of paraffin
oil alone caused a positive response in one test and no
control animals.

Although the incidence of significant responses was


slightly higher in test than control animals, the
difference was not considered to be sufficiently marked
to be attributed to contact sensitization. The
reactions were considered to reflect primary irritation.
It was therefore concluded that, under the conditions of
this study, repeated administration of SHOP C68 did not
cause delayed contact hypersensitivity in guinea pigs.

Reliability: (1) Reliable without restrictions

Reference: Huntingdon Life Sciences Ltd. (1996) SHOP Internal


Olefin: Delayed hypersensitivity study in theGuinea Pig
(Magnusson Kligman Method), Performed for Shell Chemical
Co. (unpublished report).

5.5 Repeated Dose Toxicity

UNEP PUBLICATIONS 123


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
A. Test Substance

Identity: CAS No. 68526-52-3, Alkenes C6


Remarks: Composition: C5 n-olefins = 0.5%, C5 iso-olefins = 1.3%,
C6 n-olefins = 10.4%, C6 iso-olefins = 55.6%, C5 n-
paraffins = 3.3%, C5 iso-paraffins = 9.3%, C6 iso-
paraffins = 17.8%, C7 iso-olefins = 1.0%

Method

Method/guideline: OECD 422


Test type: Combined repeated dose toxicity study with
reproduction/developmental toxicity screening test
GLP: Yes
Year: 2002
Species: Rat
Strain: Sprague-Dawley Crl:CD®(SD)IGS BR
Route of
Administration: Oral gavage
Duration of test: Up to 38 days (general systemic toxicity and
neurotoxicity); see Remarks
Doses: 0, 100, 500, or 1000 mg/kg b.w./day
Sex: Males and females
Exposure period: Minumum of 28 days and up to 38 days, see Remarks
Frequency
of treatment: Once daily
Control group
and treatment: Concurrent vehicle control (corn oil)
Post exposure
observation period: None
Statistical methods: Data for the toxicity study, including body
weights, body weight gain, food consumption, were
analyzed by One-Way Analysis of Variance (ANOVA).
If significance was detected (p<0.05), pairwise
group comparisons were performed using the Tukey-
Kramer test. Descriptive (categorical) data and
quanta data were analyzed by Fisher’s Exact Test.
When significance was observed, group by group
comparisons were performed using Fisher’s Exact
Test. Absolute and relative organ weights, and
clinical pathology data were analyzed for
homogeneity of variance using Levene’s test. If
significance was detected with Levene’s test
(p<0.01), multiple group comparisons proceeded
using the Kruskal-Wallis non-parametric ANOVA,
followed by Dunn’s test, when p<0.05. If
significance was not detected with Levene’s test,
parametric procedures were used to analyze the
data, i.e., ANOVA followed by Tukey-Kramer test
when p<0.05. All analyses were two-tailed with a
minimum significance level of 5% (p<0.05).

Test Conditions: This study was conducted to: (1) provide screening
information on the repeated-dose systemic toxicity of
the test substance, with emphasis on potential
neurological effects, and (2) serve as a screening
study for potential reproductive and developmental
effects in male and female rats.

GENERAL SYSTEMIC TOXICITY PHASE (see Sections 5.9.A(1)


and 5.9.B(1) for the reproductive toxicity phase): On

124 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
the day following receipt, animals were approximately 9
wks of age and weighed 237 – 296 g (males) and 170 – 226
g (females). Animals were acclimated for 17 days prior
to dosing. The study consisted of one control group and
three treatment groups with 12 animals in each group.
Animals were treated for a minimum of 4 wks, up to and
including the day prior to scheduled euthanasia.
Detailed clinical observations were performed a minimum
of weekly and on the day of scheduled euthanasia. An
abbreviated functional observation battery (FOB) was
performed prior to study initiation and weekly
thereafter. A full FOB was performed following 28 days
of treatment. Individual body weights were recorded on
days 0, 3, 7, 12, 16, 20, 23, 27 and 30. A final body
weight was recorded prior to scheduled euthanasia (day
34/38) Individual food consumption was recorded on the
same days as body weights (except for males during
cohabitation with females in the reproduction/
developmental screening study). Blood samples were
collected on the day of scheduled euthanasia (day 34/38)
for evaluation of selected hematology, coagulation and
clinical chemistry parameters. All animals were
subjected to a complete gross necropsy examination at
the time of death or scheduled euthanasia (day 34/38).
Organ weights (liver, kidneys, testes, epididymides,
adrenals, thymus, spleen, brain and heart) were recorded
from surviving animals and the following tissues and
organs were preserved from all animals: all gross
lesions, accessory genital organs, adrenals, aorta,
brain, cecum, colon, duodenum, esophagus, exorbital
lachrymal glands, eyes with optic nerve, femur, heart,
ileum, jejunum, kidneys, liver, lungs, mammary gland,
mesenteric/mandibular/ mediastinal lymph nodes, ovaries,
pancreas, peripheral nerve, pituitary, rectum, skeletal
muscle, skin, spinal cord, spleen, sternum with bone
marrow, stomach, submaxillary salivary gland, testes,
thymus, thyroid, parathyroid, tongue, trachea, and
urinary bladder. All tissues and organs collected at
necropsy from animals in the control and high-dose
groups and animals found dead, and gross lesions from
animals in the low- and mid-dose groups were examined
microscopically.

Results

NOAEL (NOEL): NOAEL (general systemic toxicity) = 1000 mg/kg/day


(study author assigned)
NOEL (general systemic toxicity) = 100 mg/kg/day for
females due to kidney effects; none for males due to
kidney and adrenal effects (reviewer assigned)
LOAEL (general systemic toxicity) = 500 mg/kg/day for
females and 100 mg/kg/day for males (reviewer assigned)
NOEL (neurotoxicity) = 1000 mg/kg/day (reviewer
assigned)

Actual dose received


by dose level by
sex if known: As administered. Analysis of dosing mixtures confirmed
that mixtures were accurately prepared.

UNEP PUBLICATIONS 125


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
Remarks: No test article-related mortality occurred. Post-dose
salivation was observed for males (11/12) and females
(6/12) in the 1000 mg/kg/day group. Remarkable clinical
signs in the 500 mg/kg/day group were limited to a
single incidence of post-dose salivation in 1 male. No
remarkable clinical signs were observed for females in
the 500 mg/kg/day group or males or females in the 100
mg/kg/day group. No toxicologically meaningful
differences were noted in the FOB evaluations.

There were no toxicologically meaningful differences


noted in mean body weights, body weight gain, food
consumption, hematology, or coagulation or the clinical
chemistry parameters evaluated. All significantly
different values were within the laboratory’s range of
historical control data values. The mean prothrombin
time of females in the 100 mg/kg/day group was
statistically lower than controls on day 38. This
difference did not follow a consistent pattern and was
not dose responsive. Statistically significant higher
mean total protein, potassium, calcium, phosphorus and
albumin values were noted for males in the 1000
mg/kg/day group on day 34. In females, statistically
significant differences in clinical chemistry data
included a lower mean AST value in the 500 mg/kg/day
group and a higher mean phosphorus value in the 1000
mg/kg/day on day 38.

No remarkable gross necropsy findings were noted in the


control or test article-treated groups. A few
statistically significant differences in organ weights
were noted; however, none of the differences were
considered toxicologically meaningful since they did not
correlate with any toxicologically significant
histopathological changes. In males, statistically
significant differences in organ weight data included
higher absolute adrenal weight in the 100 mg/kg/day
group; higher absolute kidney weights in the 100, 500
and 1000 mg/kg/day groups; higher kidney weight relative
to final body weight in the 500 and 1000 mg/kg/day
groups; and higher liver weight relative to final body
weight in the 1000 mg/kg/day group. In females,
statistically significant differences in organ weight
data included higher kidney weight relative to final
body weight in the 500 and 1000 mg/kg/day groups, and
higher liver weight relative to final body weight in the
1000 mg/kg/day group.

Minimal to mild hyaline droplet nephropathy within the


proximal convoluted tubules was observed in 9 of 12
males in the 1000 mg/kg/day group. Accumulation of α2µ –
globulin protein within the proximal convoluted tubule
epithelial cells can be induced by a variety of chemical
compounds that reversibly bind with α2µ-globulin
protein, thus decreasing the rate of protein complex
metabolism by the cells. Tubular epithelial degenerative
and regenerative changes commonly accompany the
accumulation of hyaline droplets; however, its presence
and associated nephropathy in male rats is not
considered toxicologically significant for humans.

126 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
(See Sections 5.9 A(1) and 5.9.B(1) for Reproductive and
Developmental results and Section 5.10.B.(1) for
neurotoxicity results.)

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint.

References: Thorsrud, B.A. (2003) A combined repeated dose toxicity


study and reproduction/developmental screening study in
Sprague Dawley rats with (C6) alkenes, Study No. 3604.2,
Springborn Laboratories, Inc., Ohio Research Center,
Spencerville, Ohio; conducted for American Chemistry
Council (Higher Olefins Panel) (unpublished report).

B. Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene (90 – 100%, NEODENE 6


alpha olefin)

Method

Method/guideline: OECD 413


Test type: 90-day subchronic inhalation toxicity study
GLP: Yes
Year: 1984
Species: Rat
Strain: F344
Route of Admin.: Inhalation – vapor
Duration of test: 90 days
Doses: 0, 300, 1000, 3000 ppm (0, 1033, 3442 and 10,326 mg/m3)
Sex: Males and females
Exposure period: 6 hr/day
Freq. of treatment: 5 days/week, 13 weeks
Control group: Air exposed
Post exposure
observation period: Not applicable
Statistical methods: Unadjusted body weights were analyzed by Dunnet’s
test. Organ weights, clinical chemistry,
hematology, urinalysis, and organ-to-body weight
ratio data were analyzed by Dunnett’s t-test on
ranked data. The Rotorod data for neuromuscular
coordination were adjusted by summing the time for
the best 3 of 4 trials for each rat.

Test Conditions: The objective of this study was to evaluate the toxicity
of 1-hexene following repeated inhalation exposures in
male and female Fischer 344 rats. Groups of 40 male and
40 female rats (young, 125-160 g at study initiation),
were exposed for 6 hours per day, 5 days per week, over
a 13-week period. Treatment groups (10 rats/sex/group)
consisted of air-exposed control (0 ppm) and three test
groups of 300, 1000, and 3000 ppm 1-hexene. During the
treatment period, the rats were observed daily for
clinical signs of toxicity; body weights and
neuromuscular coordination [females only] were measured
at 7-day intervals. After 7 weeks of exposure and at the
end of the treatment period, the rats were examined for
macroscopic pathology (lungs, liver, kidneys, brain,
heart, spleen, right testicle without epididymides), for
microscopic pathology (brain, right median nerve, right

UNEP PUBLICATIONS 127


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
sciatic nerve, nasal turbinates, trachea/larynx, lungs,
liver, kidneys, right testicle, and epididymides),
clinical chemistry, hematology, urinalysis, and sperm
counts.

Results

NOAEL (NOEL): NOEL = 1000 ppm (3.442 mg/L), based on changes in


bodyweight (females) and questionable organ weight
changes in both sexes at 3000 ppm

LOAEL (LOEL): LOEL = 3000 ppm (10.326 mg/L)

Actual dose received


by dose level by
sex (if known): 0, 300, 1000, 3000 ppm

Remarks: No mortalities were observed during the course of the


study. No clinical signs of toxicity attributable to 1-
hexene exposure were observed. Female rats exposed to
3000 ppm had significantly lower body weights compared
to control rats from exposure day 5 persisting
throughout the treatment period.

Several statistically significant effects in hematology,


clinical chemistry, and urinalysis evaluations were
observed: elevated serum phosphorus in males at 300,
1000 and 3000 ppm and in females at 1000 and 3000 ppm;
lower serum lactate dehydrogenase in female rats exposed
to 1000 ppm, and in both male and female rats exposed to
3000 ppm; lower serum albumin in female rats exposed to
3000 ppm; elevated hematocrit and RBC count in 3000 ppm
males and in 1000 and 3000 ppm females; lower mean
corpuscular hemoglobin and hemoglobin concentration in
1000 and 3000 ppm females. These findings were either
of small magnitude or did not correlate with
histopathological findings, and thus did not appear to
be of biological significance.

At 3000 ppm, male rats exhibited slightly increased


absolute and relative testicular weights; however, when
the left testicle was detunicated prior to weighing,
there was no statistically significant increase in
testis weight compared with the controls. Female rats
had slightly decreased absolute (but not relative) liver
and kidney weights, at 3000 ppm. No treatment-related
gross or histological lesions were noted in these or
other tissues at either the interim or terminal
sacrifice. Sperm counts were observed and were not
considered to show statistical significance. (Please see
Reproductive Toxicity section 5.9.A for further details
about reproductive endpoints)

Exposure to 1-hexene did not affect neuromuscular


coordination in females as determined using the Rotorod.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

128 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
References: Gingell, R., Bennick, J.E., and Malley, L.A. (1999)
Subchronic inhalation study of 1-hexene in Fischer 344
rats. Drug Chem Toxicol. 22(3):507-28.

Other: This study was included in the dossier for 1-hexene at


SIAM 11. Additional information has been added.

C. Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene (90 – 100%, NEODENE 6


alpha olefin)

Method

Method/guideline: OECD 407


Test type: 28-day oral repeated dose study
GLP: Yes
Year: 1994
Species: Rat
Strain: Wistar
Route of Admin.: Oral gavage
Duration of test: 28 days
Doses: 0, 10, 101, 1010, 3365 mg/kg/day
Sex: Males and females
Exposure period: 28 days
Freq. of treatment: daily for 28 days
Control group: Dosed with water
Post exposure
observation period: none
Statistical methods: No data

Test Conditions: Groups of 5 male and 5 female rats were dosed daily for
28 days with undiluted 1-hexene; controls were dosed
with water.

Results

NOAEL (NOEL): NOEL = 101 mg/kg/day for males (male rat-specific kidney
effect) and 1010 mg/kg/day for females (gastric effects
and spleen weights)
LOAEL (LOEL): LOEL = 1010 mg/kg/day for males and 3365 mg/kg/day for
females

Remarks: The main effect of dosing was irritation of the gastric


mucosa, as observed by macro- and microscopic
examination at the top two dose levels (males and
females). Body weights were reduced in males at these
doses. Clinical signs of hunched posture and ruffled
fur were seen at the top dose, probably reflecting
general discomfort. Spleen weights were reduced at the
top dose, but there were no associated histological
findings. Opthalmoscopy, clinical chemistry,
hematology, and neuromuscular coordination [by rotorod]
were unaffected. Pathological changes were restricted
to gastric effects.

Reliability: (1) Reliable without restrictions

UNEP PUBLICATIONS 129


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
References: Dotti, A., Duback-Powell, J.R., Biderman, K., and Weber,
K. (1994) 4-week oral toxicity (gavage) study with 1-
hexene in the rat. RCC Project 332695. Cited in HEDSET.

Other: This study was included in the dossier for 1-hexene at


SIAM 11. Additional information has been added.

D. Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene

Remarks: Three test articles were blended to produce the final


test article consisting of 90-100% 1-hexene (NEODENE 6,
GULFTENE 6 and alpha olefin 6)

Method

Method/guideline: OECD 421 (modified) (see Section 5.9.A.2 for


reproductive endpoints and Section 5.9.B.2 for
developmental endpoints)
Test type: Reproduction/Developmental Toxicity Screening Study
GLP: Yes
Year: 1995
Species: Rat
Strain: Sprague-Dawley
Route of Admin.: Oral gavage
Duration of test: Males: 44 days; females: 41-55 days
Doses: 0, 10, 500, 1000 mg/kg/day
Sex: Males and females
Exposure period: 28 days
Freq. of treatment: daily
Control group: Corn oil by oral gavage
Post exposure
observation period: none
Statistical methods: Continuous data, including body weights, body
weight gain, feed consumption, organ weights, were
analyzed by using a One-Way analysis of Variance.
If significance [P<0.05] was detected, group by
group comparisons were performed using Dunnett’s
test. All analyses utilized two-tailed tests for a
minimum significance level of 5% comparing the
control to the treated groups.

Test Conditions: 12 male rats (195-242 g, 6 weeks old) per group were
exposed for 28 days prior to mating, and through mating
until euthanasia for a total of 44 consecutive days of
dosing; 12 females (163-219 g, 8 weeks old) per group
were dosed for 14 days prior to mating, during mating,
gestation and lactation through euthanasia at lactation
day 4 [41-55 consecutive days]. Dose levels were 0,
100, 500, 1000 mg/kg/day in a corn oil vehicle [5
mL/kg]. Animals were observed daily for clinical signs
of toxicity. Body weights and food consumption were
determined weekly. Females that delivered were
necropsied on lactation day 4. Females that failed to
deliver were necropsied 25 days after evidence of mating
was detected. For females, the ovaries and brain were
weighed. For males, after 43 days of dosing, the viscera
were examined, and brain, testes and epididymides
weighed. The ovaries, testes, epididymides, liver,

130 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
kidneys, and peripheral (sciatic) nerve of control and
high dose animals, the kidneys of the low and mid dose
animals, and all gross lesions from each group, were
processed for microscopic examination.

Results

NOAEL (NOEL): NOEL for general toxicity in the P generation is <100


mg/kg/day for males (male kidney histopathology) and
1000 mg/kg/day for females
LOAEL (LOEL): LOEL = 100 mg/kg/day for males

Remarks: Please see Sections 5.9.A.2 and 5.9.B.2 for reproductive


and developmental toxicity endpoints.

No mortality or clinical signs of toxicity were


observed. For the F0 males and females at the top dose,
gross and histological examination of the ovaries ,
testes, epididymides, liver, kidneys , and peripheral
[sciatic] nerve was performed; kidneys were also
examined at the mid and low dose levels. The only gross
finding was pitted kidneys in a few mid and top dose
males (2/12 in 500 mg/kg/day group and 3/12 in the 1000
mg/kg/day group, and the only histological finding was
dose-related accumulations of hyaline droplets in the
epithelial cells of the convoluted tubules of the
kidneys of males (incidence of 0/0, 7/12, 8/12 and 9/12
for the 0, 100, 500 and 1000 mg/kg/day groups); no such
effect was observed in female rats. Although there was
no immunochemical verification, the author’s concluded
that the formed droplets were alpha2u-globulin This
condition was diagnosed as hydrocarbon nephropathy,
which is considered specific to young adult male rats;
there is no indication that similar nephropathy will
occur in humans exposed to 1-hexene.

Reliability: (1) Reliable without restrictions

References: Gingell, R., Daniel, E.M., Machado, M. and Bevan, C.


(2000) Reproduction/developmental toxicity screening
test in rats with orally-administered 1-hexene. Drug and
Chem. Toxicology 23(2)327-338.

Other: This study was included in the dossier for 1-hexene at


SIAM 11. Additional information has been added.

5.6 Genetic Toxicity in vitro

A. Gene Mutation

(1) Test Substance

Identity (purity): CAS No. 68526-52-3, Alkenes, C6

Method

Method/guideline: EPA OTS 798.5265


Type: in-vitro bacterial reverse mutation – Ames Assay

UNEP PUBLICATIONS 131


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
System of testing: bacterial
GLP: Yes
Year: 1991
Species/Strain: Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538
Metabolic activation: With and without S9 fraction of livers from
rats pretreated with Aroclor 1254

Concentrations tested: 3.2, 10, 32, 100 and 320 µg/plate (Doses
were based on a pre-test for toxicity)

Statistical Methods: The mean plate count and standard deviation


for each dose point were determined. Any
test value that was equal to or greater than
three times the mean value of the concurrent
vehicle control was considered to be a
positive dose.

Test Conditions: For the purpose of this study, the test material
was considered to be free of impurities. DMSO was
the vehicle for controls. Ethanol was the vehicle
for the test material. Vehicle controls were
dosed at 0.1 ml/plate ethanol and 0.1 ml/plate
DMSO. The positive controls were 2-
Aminoanthracene, 9-Aminoacridine, 2-Nitrofluorene,
N-methyl-N-nitro-N-nitrosoguanidine.

To determine the highest dose of compound to be


used in the assay, a dose range from 1 to 10,000
µg/plate was tested. Only strain TA98 was used.
The toxicity pretest was repeated and toxicity was
observed as a reduction in both background and
revertant colony counts. 320 µg/plate was
selected as the high dose to be used on the
mutagenesis assay for both the saline (-S9) and
the +S9 treated plates.

Triplicate plates were used for each dose level. A


repeat assay was performed in order to verify the
data produced in the initial assay.

Results

Cytotoxic conc.: 320 ug/plate

Genotoxic effects: Negative with and without metabolic


activation

Remarks: The test material did not induce a dose


related increase in the mutation frequencies of
any of the tester strains either in the presence
or absence of metabolic activation. All positive
and negative controls responded in a manner
consistent with data from previous assays. Under
the conditions of this study the test material is
not mutagenic for the Salmonella tester strains at
doses up to and including 320 µg/plate.

Reliability: (1) Reliable without restrictions

132 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
Flag: Key study for SIDS endpoint.

References: Exxon Biomedical Sciences, Inc. (1991a). Alkenes,


C6: Microbial Mutagenesis in Salmonella: Mammalian
Microsome Plate Incorporation Assay. Conducted by
Exxon Biomedical Sciences, Inc., East Millstone,
NJ, USA (unpublished report).

(2) Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene (99.06%)

Method

Method/guideline: OECD 471 with repeat assay


Type: In vitro bacterial reverse mutation – Ames Assay
System of testing: bacterial
GLP: Yes
Year: 1990
Species/Strain: Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538
Metabolic activation: With and without 0.5 ml of S9 fraction of
livers from Sprague Dawley rats pretreated
with Aroclor 1254

Concentrations tested: 0.0015, 0.005, 0.015, 0.05, 0.15 and 0.5


mg/plate (Doses were based on a pre-test for
toxicity)

Statistical Methods: Results were considered clearly positive if


treatment with test material produced an
increase in revertant colony numbers of at
least twice the concurrent solvent control,
with some evidence of a positive dose-
relationship, in two separate experiments,
with any bacterial strain either in the
presence or absence of S9 mix. Results were
considered clearly negative if treatment
with test material did not produce
reproducible increases of at least 1.5 times
concurrent solvent controls, at any dose
level with any bacterial strain.

When results fail to satisfy criteria for


clear positive or negative response, repeat
test may be performed using modifications.
These modifications include the use of a
narrower dose range and or the use of
different levels of liver homogenate S9
fraction. If no clear positive response can
be obtained, the test data will be subjected
to analysis to determine statistical
significance using analysis of variance
followed by student’s t test.

Test Conditions: PRELIMINARY TOXICITY ASSAY – Four concentrations


of test substance were assayed for toxicity (5000,

UNEP PUBLICATIONS 133


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
500, 50, 5 ug/plate). Dimethylsulphoxide was used
as the solvent and negative control. 0.1 ml of a
bacterial culture containing approximately 2 x109
cells/ml and 0.5 ml of S-9 mix or 0.5 ml buffer
were added to glass bijou bottles. 0.1 ml of test
solution was added followed by 2 ml histidine
deficient agar. The mixture was shaken and
overlayed onto previously prepared plates
containing minimal agar. Plates were incubated for
three days at 37˚C. Toxicity of the test substance
was detected by a substantial reduction in
revertant colony counts or by the absence of a
complete background bacterial lawn.

MUTAGENICITY ASSAY – 0.1 ml aliquots of bacterial


suspension and 0.5 ml of sterile buffer or S-9 mix
were added to each of one set of sterile bijou
bottles. 0.1 ml of test compound was added to the
cultures at six concentrations. The appropriate
positive control was added (Without S-9: 9-
aminoacridine 80 ug/plate TA1537; N-ethyl-N’-
nitrosoguanidine 3 ug/plate TA100; N-ethyl-N’-
nitrosoguanidine 5 ug/plate TA1535; 2-
nitrofluorene 1 ug/plate TA98; 2-nitrofluorene 2
ug/plate TA1538. With S-9: 2-aminoanthracene 0.5
ug/plate TA1538 and TA98; 1 ug/plate TA100; 2
ug/plate TA1535 and TA1537). Three replicates were
used at each dose level. 2 ml of histidine
deficient agar was added to each of the bottles,
mixed, and overlaid onto minimal agar. Plates were
incubated for three days at 37°C. Colonies were
counted using a Biotran Automatic Colony Counter,
and mean number of revertant colonies per
treatment group was assessed. A repeat assay was
performed in order to verify the data produced in
the initial assay.

Results

Cytotoxic conc.: With metabolic activation: 5 mg/plate (all


strains); 0.5 mg/plate (TA98)
Without metabolic activation: 0.5 mg/plate

Genotoxic effects: Negative with and without metabolic


activation

Remarks: The concentration of the test compound resulting


in precipitation was not reported in summary.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Huntingdon Research Center (1990) 1-Hexene:


Bacterial Mutation Assay. Sponsored by Ethyl
(unpublished report).

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added.

134 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005

(3) Test Substance

Identity (purity): CAS# 558-37-2, Neohexene (3,3-


dimethylbutene-1,
98.5% purity).

Method

Method/guideline: OECD 471 without repeat assay


Type: In vitro bacterial reverse mutation – Ames Assay
System of testing: bacterial
GLP: Not specified
Year: 1982
Species/Strain: Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538
Metabolic activation: With and without; S9 fraction (0.5 ml/plate)
of livers from rats pretreated with Aroclor
1254 (500 mg/kg for 5 days)

Concentrations tested: 0, 32.3, 96.5, 289.5, 868.4, and 2605


µg/plate
(doses were based on a pre-test for
toxicity)

Statistical Methods: A positive response was defined as a


reproducible, dose-related increase in
revertant colonies over three concentrations
with the baseline increase twice the solvent
control level.

Test Conditions: Solvent control: dimethylsulfoxide (DMSO).


Positive controls: N-Methyl-N'-nitro-N-
nitrosoguanidine (MNNG), 9-aminoacridine (9-AA),
2-nitrofluorene (2-NF), 2-aminoanthracene (2-AA).

Five different Salmonella strains were tested in


the presence and absence of rat liver S-9. The
test substance was soluble in the solvent
(dimethylsulfoxide, DMSO) at 100 mg/ml. Five dose
levels were tested, with three plates per dose
level. The maximum dose selected was 2605 µg/plate
based on observed growth inhibition during an
initial toxicity test. Concurrent positive
controls were also tested with and without
metabolic activation.

Results

Cytotoxic conc.: 2605 µg/plate in the initial toxicity test;


cytotoxicity in the mutagenicity assay was not
reported

Genotoxic effects: Negative with and without metabolic


activation

Remarks: The concentration of the test compound resulting


in precipitation was not reported. The test
substance was not mutagenic in any of the five
strains of Salmonella tested in the presence or
absence of Aroclor-induced rat liver S9.

UNEP PUBLICATIONS 135


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005

Reliability: (1) Reliable without restrictions

References: Hazleton Laboratories America, Inc. (1982).


Neohexene: Salmonella typhimurium mammalian
microsome plate incorporation assay. Conducted for
Phillips Petroleum Company (unpublished report).

(4) Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene (99.06%)

Method

Method/guideline: OECD 476


Type: In-vitro mammalian Cell Gene Mutation TK+/- Test
System of testing: non-bacterial
GLP: Yes
Year: 1990
Cell Line: Mouse Lymphoma L5178Y
Metabolic activation: With and without S9 fraction of livers from
Sprague Dawley rats pretreated with Aroclor
1254

Concentrations tested: Preliminary toxicity - 10, 15, 30, 62.5,


125, 250, 500, 750, 1000 ug/ml
Mutation test – S-9 mix:
Test 1 -15, 30, 62.5, 125, 200, 300,
400, 500, 750 ug/ml
Test 2 – 15, 30, 62.5, 125, 200, 300,
350 ug/ml
Mutation test + S-9 mix:
Test 1 – 15, 30, 62.5, 125, 200, 300,
400, 500, 750 ug/ml
Test 2 – 10, 15, 30, 62.5, 125, 200,
300, 350 ug/ml

Statistical Methods: Analysis of variance of the mutant


frequencies after the data had been log
transformed. The difference between each
treated group and the control mutant
frequency was tested for significance by
one-sided t-test. The criteria for a
positive response included: the induction of
at least two-fold increase in mutant
frequency relative to the concurrent
control; the demonstration of a
statistically significant response; evidence
of a dose-related response; and reproducible
response.

Test Conditions: PRELIMINARY TOXICITY TEST - 3 ml aliquots of cell


suspensions containing 1 x 106 cells/ml were
dispensed into containers followed by 2ml of media
or 2 ml of S-9 mix. 50 ul of compound solution or
DMSO was then added. Two cultures per dose were
prepared, one with S-9 and one without S-9. Cell
suspensions were incubated at 37 ˚C for 3 hours.
After incubation cells were washed with media and
transferred to a bottle containing 30 ml growth

136 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
media. Cell growth was monitored at 24 and 48
hours after treatment.

MUTATION TEST – The mutation test was carried out


as described for the preliminary toxicity test
with the following modifications. Two cell
cultures were treated for each dose level. 12 ml
of cell suspension and 8 ml of media or S-9 mix
were dispensed into 50 ml centrifuge tubes. 200 ul
of solvent control, test compound solution or
positive control was added. After test incubation,
cells were washed once and transferred to bottles
containing 60 ml growth media. Cells were
maintained in culture for 48 hours to allow for
expression of induced mutation.
At least four treatment levels were chosen in
which the cell survival was in the range of 100-
10% relative to controls for subsequent cloning in
agar and assessment of mutant colony numbers.
Cultures outside this range were discarded. 600
cells were plated in cloning medium for estimation
of viability and 3 x 106 cells in selective medium
for quantitation of mutation. Plates were
incubated at 37˚C for 12 days. Colonies with a
diameter greater than 200 um were counted.

The positive control compound for tests carried


out in the absence of S-9 mix was ethyl methane
sulphonate ata final concentration of 500 ug/ml.
20-methylcholanthrene was used as a positive
control in the presence of S-9 mix at a final
concentration of 2.5 ug/ml. The solvent in both
cases was DMSO.

Results

Cytotoxic conc.: Cytotoxicity expressed as mean % of control growth


in suspension
Concentration 0 10 15 30 62.5 125 200 300 350 400 500 750 500/
ug/ml 2.5*
-S-9
Test 1 100 - 103 109 99 82 31 2 - 2 2 2 69
Test2 100 - 101 110 87 52 <1 <1 1 - - - 85
+S-9
Test 1 100 - 89 88 41 71 74 16 - 3 1 1 40
Test 2 100 81 83 2 51 26 1 1 1 - - - 43
* cytotoxicity of positive control

Genotoxic effects: Negative with and without S-9

Back-transformed mean mutant frequency

UNEP PUBLICATIONS 137


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005

Concentration ug/ml 0 10 15 30 62.5 125 200 300 Positive control


-S-9
Test 1 89 - - 102a 99a 80 104a - 749c
Test 2 73 - 87 68 81 108 - - 651c
+S-9
Test 1 85 - 98 79 - 96 78 139b 593c
Test 2 88 98 86 - 96 82 - - 377c
a – significance level compared to control, 5%
b – significance level compared to control, 1%
c – significance level compared to control, 0.1%

Remarks: Statistically significant increases in mutant


frequency were observed in test 1 in the absence
of S-9. However, these increases were small, less
than 20% greater than controls, and were only
found to be statistically significant due to the
very low variability within negative control
group. Only one statistically significant increase
in mutant frequency was observed in test 1 at the
highest concentration, in the presence of S-9.
However, none of the criteria for a clear positive
were fulfilled. Ethyl methane sulfonate and 20-
methylcholanthrene, the positive controls, induced
highly significant increases in mutant frequency
in both tests. It is concluded that 1-hexene does
not demonstrate mutagenic potential in this in
vitro gene mutation assay.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Huntingdon Research Center (1990) 1-Hexene in


Vitro Mammalian Cell Gene Mutation Assay (TK+/-).
Sponsored by Ethyl (unpublished report).

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added.

B. Chromosomal Aberration

(1) Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene (NEODENE 6 alpha


olefin)

Method

Method/guideline: OECD 473


Type: In-vitro mammalian chromosome aberration
test
System of testing: non- bacterial
GLP: Yes
Year: 1983

138 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
Cell line: Chinese Hamster Ovary (CHO) cells
Metabolic activation: With and without S9 fraction
Concentrations tested: No data
Statistical Methods: No data

Test Conditions: Ethanol was the vehicle for the test material.
Single cultures were used for the assay and cells
were evaluated at 12 hours.
A repeat assay was performed in order to verify
the data produced in the initial assay.

Results

Cytotoxic conc.: With metabolic activation: 0.61 mg/ml


Without metabolic activation: 0.067 mg/ml

Genotoxic effects: Negative with and without metabolic


activation.

Remarks: A single increase in aberrations was noted


in the first assay (with S-9) but was not
dose-related or reproduced in the second
assay. There was no evidence that the cell
cycle was not delayed.

Reliability: (2) Reliable with restrictions: Study was


conducted at a reliable laboratory, but only
limited data were available for evaluation.

Flag: Key study for SIDS endpoint

References: Shell Development Company (1983) In Vitro


Chromosome Aberration Assay in Chinese
Hamster Cells of NEODENE 6 Alpha Olefin,
WTP-126 (unpublished report).

Other: This study was included in the dossier for


1-hexene at SIAM 11.

(2) Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene (99.06%)

Method

Method/guideline: OECD 473


Type: In-vitro mammalian chromosome aberration
test
System of testing: non- bacterial
GLP: Yes
Year: 1990
Cell line: Cultured human lymphocytes
Metabolic activation: With and without S9 fraction of livers from
Sprague Dawley rats pretreated with Aroclor
1254

Concentrations tested: 15.6, 62.5 and 125 mg/mL

Statistical Methods: The number of aberrant metaphase figures in


each group was compared with the solvent

UNEP PUBLICATIONS 139


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
control value using Fishers test. Any
apparent dose related trend was analysed
using Mantel’s test.

Test Conditions: A preliminary solubility test showed that 1-hexene


was miscible in dimethylsulphoxide (DMSO) at a
maximum concentration of 100 mg/ml. A final
concentration of 1000 ug/ml in culture medium was
initially immiscible but became completely
miscible upon incubation at 37˚ C for five
minutes. Therefore, 1000 ug/ml was selected as the
maximum achievable concentration for further
analysis. Ethyl methane sulfonate (EMS) and
cyclophosphamide (CP) were used as positive
controls in the absence and presence of metabolic
activation, respectively. Lymphocytes were
separated from human blood, washed and suspended
at a concentration of 1 x 106 cells per ml. 5 ml
aliquots of the cell suspension were incubated at
37˚C in a humid atmosphere containing 5% CO2 for
approximately 48 hours. After 48 hours, 50 ul
aliquots of 1-hexene were added to each of two
duplicates to give final concentrations of 1000,
500, 250, 125, 62.5, 31.3, 15.6, 7.8, 3.9 and 2.0
ug/ml. The solvent control, DMSO, was added to 4
cultures in 50 ul aliquots and EMS, the positive
control, was added to two cultures at a final
concentration of 750 ug/ml. For testing in the
presence of metabolic activation 1.25 ml of S-9
mix was added to each culture followed by 62.5 ul
aliquots of various dilutions of 1-hexene giving
the same final concentrations as above. DMSO (62.5
ul) was added to four cultures and CP was added to
2 cultures at a final concentration of 20 ug/ml.
Cells were incubated for three hours after dosing.
Cells were then centrifuged and resuspended in
fresh medium and incubated for an additional 22
hours. Mitotic activity was arrested by addition
of colchicines, cells were fixed and slides were
prepared. Slides were examined by light microscopy
and the proportion of metaphase figures in each
culture was measured. The dose level causing a
decrease of 50 –80% of the solvent control value
or, if no decrease, the maximum achievable
concentration was used as the highest dose level
for metaphase analysis. The intermediate and low
dose were 50% and 12.5% of the highest
concentration. Approximately 100 metaphase figures
were examined from each culture.

Results

Cytotoxic conc.: Mitotic Index ([total # of mitotic cells/total #


cells] x 100)

Concentrati 0 2 3. 7. 15. 31. 62. 12 25 50 100


on ug/ml 9 8 6 3 5 5 0 0 0
-S-9 8 7. 5. 7. 6.3 9.2 7.5 3. 1. -* -*
4 6 2 7 3
+S-9 11. 9. 9. 9. 8.5 8.4 7.4 6. 1. -* -*
3 3 7 0 6 5

140 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
*No live cells observed due to excessive toxicity

125 ug/ml reduced the mitotic index to 46% and 58%


in the absence and presence of metabolic activity,
respectively. Therefore, 125 ug/ml was selected as
the high dose, while 62.5 and 15.6 ug/ml were
selected as the intermediate and low doses.

Genotoxic effects: Negative with and without metabolic


activation.

Test Concentration No. cells No. of


Material ug/ml examined aberrant
cells (%
mean)
-S-9
DMSO 10 ul/ml 100 0.25
1-hexene 15.6 100 0.50
1-hexene 62.5 100 0.50
1-hexene 125 100 0.50
EMS 750 100 6.50*
+S-9
1-hexene 15.6 100 0.00
1-hexene 62.5 100 0.50
1-hexene 125 100 0.50
CP 20 100 8.50*
* P<0.001

In both the presence and absence of metabolic


activation, at all the concentrations of 1-hexene
analyzed, no statistically significant increases
in the proportion of metaphase figures containing
chromosomal aberrations were observed. Both
positive control compounds (EMS and CP) caused
statistically significant increases in the
proportion of aberrant cells, thus demonstrating
the sensitivity of the test system and the
efficacy of the S-9 mix.

Remarks: It is concluded that 1-hexene has shown no


evidence of clastogenic activity in this in vitro
cytogenetic test system.

Reliability: (1) Reliable without restrictions

References: Huntingdon Research Center (1990) 1-Hexene:


Metaphase Chromosome Analysis of Human Lymphocytes
Cultured in Vitro. Sponsored by Ethyl (unpublished
report).

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added.

C. Other Genetic Effects

(1) Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene (GULFTENE 6)

UNEP PUBLICATIONS 141


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005

Method

Method/guideline: OECD 482 except that independent repeat was not


conducted
Type: In-vitro unscheduled DNA synthesis
System of testing: Non-bacterial
GLP: Yes
Year: 1984
Cell line: Primary rat hepatocytes
Metabolic activation: None

Concentrations tested: Rangefinding experiment: 32, 64, 128, 256,


512, 1024, 2048 and 5000 ug/ml
UDS experiment: 500, 2000, 3500 and 5000 ug/ml

Statistical Methods: The test substance was considered positive


for unscheduled DNA synthesis (UDS) when the
mean net nuclear grain count at any
treatment level exceeded that of the
concurrent negative control by at least 6
grains per nucleus, and the value for the
negative control did not exceed 5. A dose
response was not needed.

Test Conditions: Primary cultures of hepatocytes from livers of


freshly perfused F344 rats were exposed to the
test substance in the presence of 3H-thymidine.
Cytotoxicity was evaluated in a separate assay and
used as a basis for dosage selection. The
occurrence of UDS was visualized
autoradiographically and quantified with the aid
of microscopy.

A 10% solution of Pluronic® F68 Polyol in water


was used to emulsify the test substance. This was
diluted with medium so that the concentration of
F68 in the dosing preparations was 2.5%
(rangefinding) and 3.5% (UDS). Dosing
preparations were added to the cultures in
aliquots of 30 or 50 ul. This produced a culture
concentration of 0.025 and 0.035% F68,
respectively. The positive control was 2-
acetylaminofluorene (2-AAF) prepared using DMSO
and Pluronic® F68 Polyol and administered at 0.2
ug/ml 2-AAF in the final culture.

The cells were grown in 3 ml (UDS) or 5 ml


(rangefinding) Williams Medium E supplemented with
10% fetal bovine serum and insulin. Antibiotics
were included. During the exposure period, 0.1M
HEPES buffer, 2% by volume, and 0.1N HCL, 1% by
volume, were present in the medium. The cells were
cultured in plastic vessels. Incubation was in a
carbon dioxide-enriched (5%), humidified
atmosphere at 37°C. During the exposure period,
cultures were sealed.

RANGEFINDING EXPERIMENT: In the rangefinding


experiment, hepatocytes were harvested from one
male rat aged 11 weeks and weighing 250 g. Two

142 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
cultures each were prepared for the negative
control, vehicle control and 8 levels of test
substance. Approximately 1 x 105 cells/ml were
seeded into each treatment culture and exposed to
the test substance for 18 hours. The cells were
then stained with trypan blue, fixed with
formalin, and counted for viability
determination. The culture vessel was taken as
the experimental unit. The average number of
viable cells per treatment group was determined.
The relative viability was then calculated as the
average number of viable cells in substance-
treated cultures divided by that in the vehicle
control cultures. For the evaluation of toxicity,
at least 50% viability was desired. The final
choice of treatment levels was based on the
expectation that at least one level showed
toxicity.

UDS EXPERIMENT: In the UDS experiment,


hepatocytes were harvested from 1 male rat aged 13
weeks and weighing 270 g. Three cultures each
were prepared for the negative control, vehicle
control, positive control, and 4 levels of test
substance. Approximately 1 x 105 cells/ml were
seeded into each treatment culture and exposed to
3
H-thymidine and test substance for 18 hours.
Cells growing on coverslips were rinsed, exposed
to hypotonic solution, fixed, air dried and glued
to microscope slides on Day 2. On Day 3, the
slides were dipped in autoradiographic emulsion
and stored in the dark at 2-8°C. Autoradiographs
were developed, stained and coversliped on Day 13.
The number of grains overlying each of 50 randomly
selected nuclei per slide were counted
microscopically. The highest of 3 cytoplasmic
grain counts per cell was subtracted to obtain the
net nuclear grain count. The individual slide was
taken as the experimental unit. The average net
nuclear grain count per slide (sum of net nuclear
grain counts divided by 50) was calculated and the
mean net nuclear grain count (average net nuclear
grain count per slide divided by 3) was determined
for each treatment level.

Results

Cytotoxic conc.: 2.048 mg/ml

Genotoxic effects: Negative

Remarks: In the rangefinding experiment, 1-hexene was toxic


to primary hepatocytes at 2.048 mg/ml where 77%
relative viability was observed following an 18-hr
exposure period. At 5.0 mg/ml, the relative
viability was 56.7%. In the UDS experiment, both
positive and negative controls gave the expected
responses. Due to toxicity at 3.5 and 5.0 mg/ml 1-
hexene, only the 0.5 and 2.0 mg/ml levels were
evaluated for UDS. Results for these two dose
levels were negative for UDS.

UNEP PUBLICATIONS 143


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005

Reliability: (2) Reliable with restrictions: No confirmatory


experiment was conducted.

References: Gulf Life Sciences (1984) Hepatocyte Primary


Culture/DNA Repair Test of GULFTENE 6, project
#2071 (unpublished report).

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added.

(2) Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene (GULFTENE 6)

Method

Method/guideline: Equivalent to USEPA TSCA 40 CFR 795.285 and ECC


B21, except that the assay was not repeated.
Type: BALB/3T3 Transformation Test
System of testing: Non-bacterial
GLP: No
Year: 1983
Cell line: Mouse embryo cells, BALB/3T3-A31-1-1
Metabolic activation: None

Concentrations tested: Rangefinding experiment: 32, 64, 128, 256,


512, 1024, 2048 and 5000 ug/ml
Transformation experiment: 256, 512, 1024,
2048 ug/ml

Statistical Methods: A test was considered positive if there


were: 1) a two-fold increase in Type-III
foci at the highest dose over that seen in
vehicle control cultures, with or without a
dose-related response or 2) a two-fold
increase at two or more consecutive dose
levels. Where vehicle control cultures have
no Type-III foci, at least 2 foci would be
needed for a dose level to be considered
positive.

Test Conditions: Cytotoxicity was evaluated in a separate assay and


used as a basis for dosage selection.

A 10% solution of Pluronic®F68 Polyol in water was


used to emulsify the test substance. This was
diluted with medium so that the concentration of
F68 in the dosing preparations was 2.5%. Dosing
preparations were added to the cultures in
aliquots of 50 ul. This produced a culture
concentration of 0.025% F68. The positive control
was 3-methylcholanthrene (3-MC) prepared using
DMSO and Pluronic® F68 Polyol and administered at
1 ug/ml 3-MC in the final culture.

The cells were received at Passage 14 after


origination of the subclone. The cells were

144 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
subcultured once, tested for presence of
adventitious infectious agents and for capability
to respond to known transforming agents, and
frozen. Cultures used in testing were less than 4
additional passages from frozen stock. The cells
were grown in 5 ml Eagle’s Minimum Essential
Medium supplemented with 10% heat-inactivated
fetal calf serum. Antibiotics were included.
During the exposure period, 1M HEPES buffer, 2% by
volume, was present in the medium. The cells were
cultured in glass vessels. Incubation was in a
carbon dioxide-enriched (5%), humidified
atmosphere at 37°C. During the exposure period
only, cultures were sealed and placed in a vented
37°C incubator without carbon dioxide enrichment
or humidified atmosphere.

RANGEFINDING EXPERIMENT: Each treatment group


(medium, vehicle, and 8 levels of test substance)
consisted of two cultures. Approximately 1 x 104
cells were seeded into each treatment flask on Day
1. The cultures were exposed to the test substance
for 2 days, beginning on Day 2, then trypsinized
and counted on Day 4 with a Coulter Model ZB cell
counter. The culture vessel was taken as the
experimental unit. The average number of surviving
cells per treatment group was determined. The
relative survival was then calculated as the
average number of surviving cells in substance-
treated cultures divided by that in the vehicle
control cultures. For the evaluation of toxicity,
at least 20% survival was desired. The final
choice of treatment levels was based on the
expectation that at least one level showed
toxicity.

TRANSFORMATION EXPERIMENT: Each group (medium


control, vehicle control, positive control, and 4
levels of test substance) consisted of 15 flask
cultures for transformation and 2 flask cultures
for cloning. Transformation flasks were seeded
with approximately 1 x 104 cells and cloning
flasks with approximately 100 cells on Day 1. The
cells were exposed to test substance for 2 days
beginning on Day 2. The medium was changed on all
cultures on Day 4. Cloning cultures were fixed and
stained for colony counting on Day 8. Colonies (at
least 50 cells) were counted visually and, where
required, examined microscopically. The medium was
changed weekly on all transformation flask
cultures. Fixation and staining of flask cultures
for focus counting and evaluation were on day 29.
Foci were counted visually and examined
microscopically to determine type.

The cloning efficiency was determined by dividing


the average number of colonies (at least 50 cells)
per flask by the number of cells seeded and
converting to a percent. The relative cloning
efficiency was determined by dividing the cloning
efficiency for each treatment group by the cloning

UNEP PUBLICATIONS 145


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
efficiency for the vehicle control, and converting
to a percent. The transformation frequency for
each group was the total number of Type III foci
divided by the total number of flasks per group.

Results:

Cytotoxic conc.: Concentrations of 32-5000 ug/ml were cytotoxic

Genotoxic effects: Negative

Remarks: In the rangefinding experiment, 1-hexene was toxic


to BALB/3T3 cells at 32 ug/ml when 67.6% viability
was observed following a 3-day exposure period.
Viability decreased slightly to 54.8% at 1024
ug/ml, then decreased sharply to 24.1% at 2048
ug/ml, and finally to 4% at 5000 ug/ml. In the
transformation experiment, cloning efficiency was
used as a measure of toxicity. Toxicity became
evident at 2048 ug/ml (57.9% relative cloning
efficiency). The positive control gave the
expected response. The negative controls were
within acceptable limits for the test. No
treatment level exceeded the negative controls for
Type III foci. Under the conditions of the test,
1-hexene was negative for cell transformation.

Reliability: (2) Reliable with restrictions: There was no


repeat experiment.

References: Goode, J.W. and Brecher, S. (1983) GULFTENE 6:


BALB/3T3 transformation test, Project 2072.
Sponsored by Gulf Life Sciences Institute,
Pittsburg, PA (unpublished report).

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added.

(3) Test Substance

Identity (purity): CAS# 558-37-2, Neohexene (3,3-


dimethylbutene-1, 98.5% purity).

Method

Method/guideline: OECD 479


Type: In vitro sister chromatid exchange (SCE) assay in
Chinese hamster ovary cells

System of testing: non- bacterial


GLP: Not specified
Year: 1988
Cell line: Chinese Hamster Ovary (CHO) cells
Metabolic activation: With and without S9 fraction of livers from
Sprague-Dawley rats pretreated with Aroclor
1254

Concentrations tested: 0, 1.3, 4.4, 13.2, 44, and 132 µg/ml

146 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
Statistical Methods: Not specified

Test Conditions: Solvent controls: dimethylsulfoxide (DMSO).


Positive controls: ethylmethanesulfonate (without
S9), cylcophosphamide (with S9).

The test substance was tested in cultured Chinese


hamster ovary (CHO) cells for induction of sister
chromatid exchanges (SCE) both in the presence and
absence of Aroclor 1254-induced Sprague-Dawley rat
liver S9. The test included concurrent solvent
and positive controls and five doses of the test
substance. The test substance was soluble in the
solvent (DMSO) at 100 mg/ml. The maximum dose
selected was 132 µg/plate based on observed growth
inhibition in an initial toxicity study.
Duplicate cultures were prepared for all dose
levels and controls. Cells were exposed to the
test substance for 2 hours, washed twice, and BrdU
added to each culture. Cells were sampled 24 hours
after BrdU addition; colcemid was added 2 hours
prior to fixation. Fifty second-division metaphase
cells were scored for frequency of SCEs/cell from
each dose level.

Results

Cytotoxic conc.: 132 µg/plate in the initial cytotoxicity


study.

Genotoxic effects: Negative with and without metabolic


activation.

Remarks: No increases in SCEs were noted in cultured CHO


cells treated with the test substance, with or
without S9.

Reliability: (1) Reliable without restrictions

References: Hazleton Laboratories America, Inc. (1982).


Neohexene: In vitro sister chromatid exchange
assay in Chinese hamster ovary cells. Conducted
for Phillips Petroleum Company (unpublished
report).
5.7 Genetic Toxicity in vivo

A. Test Substance

Identity (purity): CAS No. 68526-52-3, Alkenes, C6

Method

Method/guideline: EPA OTS 798.5395


Type: Micronucleus Assay
GLP: Yes
Year: 1993
Species: Mouse
Strain: B6C3F1
Sex: Male and female
Route of

UNEP PUBLICATIONS 147


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
Administration: Inhalation – saturated vapor
Concentration levels: Target exposure of test substance: 1000 ppm;
Actual mean exposure: 1057 ppm (3638 mg/m3)
(saturated vapors, no aerosol).

Exposure period: 6 hours/day for 2 consecutive days


Statistical methods: To determine the percentage of micronuclei, 1000
polychromatic erythrocytes from each animal were
examined for micronuclei. To determine the
percentage of polychromatic erythrocytes, the
number of polychromatic erythrocytes in a total of
1000 erythrocytes was determined. Statistical
analysis included calculation of means and
standard deviations of the micronuclei data and a
test of equality of group means by a standard one
way analysis of variance at each time period.
When the ANOVA was significant, comparisons of
carrier control to dosed group means were made
according to Duncan's Multiple Range Test. Data
from both males and females were analyzed as a
single group to facilitate comparisons to
published data.

Test Conditions: For the purpose of this study, the test material was
considered to be free of impurities. Vapors were
generated by forcing the test material with a piston
pump through a glass cylinder with heating tape. Vapors
were drawn into the chamber with air flow at a rate of
200 liters/minute. Nominal and actual concentrations
were determined by net weight loss of the test material
and by gas chromatography, respectively. Animals were
approximately 8 to 10 weeks old at initiation of the
study. Five animals/sex were exposed to vapors of the
test substance for 6 hours per day on 2 consecutive
days. During each exposure, animals were observed
hourly. The positive control, cyclophosphamide in
water, was administered by oral gavage as a single dose
of 40 mg/kg to 5 animals/sex. The negative controls
(five animals/sex) received a sham exposure of air.
Animals from the treated and negative control groups
were sacrificed by carbon dioxide asphyxiation at
appropriately 24 hours after the second day of exposure.
Animals treated with cyclophosphamide were sacrificed 24
hours following dose administration. Immediately upon
sacrifice, the bone marrow was removed from both femurs
of each animal, resuspended, and prepared for
microscopy. Samples were blindly coded and stained with
acridine orange.

Results

Effect on
PCE/NCE ratio: None
Genotoxic effects: Negative
NOEL: 1057 ppm (3.638 mg/L) (saturated vapor)

Remarks: The test material was not clastogenic since it did not
induce a statistically significant increase in the mean
number of micronucleated polychromatic erythrocytes,
indicating that the test substance is not clastogenic.

148 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
In addition, the test substance did not induce a
statistically significant decrease in the mean percent
of polychromatic erythrocytes, indicating that the test
substance did not induce bone marrow toxicity. The
positive control did induce a statistically significant
increase in the mean number of micronucleated
polychromatic erythrocytes and was therefore
clastogenic. The sham control values for the mean
number of micronucleated polychromatic erythrocytes were
within the normal range for the negative control. Under
the conditions of this assay, Alkenes, C6 are not
clastogenic following inhalation exposure in mice.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Exxon Biomedical Sciences, Inc. (1991c) Alkenes, C6: In


vivo mammalian bone marrow micronucleus assay:
inhalation dosing method (unpublished report).

B. Test Substance

Identity (purity): CAS No. 68526-52-3, Alkenes, C6

Method

Method/guideline: EPA OTS 798.5395


Type: Micronucleus Assay
GLP: Yes
Year: 1991
Species: Mouse
Strain: B6C3F1
Sex: Male and female
Route of
Administration: Oral gavage
Concentration levels: 1.25, 2.5, and 5 g/kg. Concentrations were based
on the results of a range-finding study.
Exposure period: Single dose
Statistical methods: To determine the percentage of micronuclei, 1000
polychromatic erythrocytes from each animal were
examined for micronuclei. To determine the
percentage of polychromatic erythrocytes, the
number of polychromatic erythrocytes in a total of
1000 erythrocytes was determined. Statistical
analysis included calculation of means and
standard deviations of the micronuclei data and a
test of equality of group means by a standard one
way analysis of variance at each time period.
When the ANOVA was significant, comparisons of
carrier control to dosed group means were made
according to Duncan's Multiple Range Test. A
standard regression analysis was performed to test
for a dose response. Sexes were analyzed
separately.

Test Conditions: Animals were approximately 7 to 8 weeks old at


initiation of the study.
The test material and the carrier (corn oil) were
administered by oral gavage as a single dose to 15 mice

UNEP PUBLICATIONS 149


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
per sex per dose (not fasted). For the purpose of this
study, the test material was considered to be free of
impurities. The positive control, cyclophosphamide, was
administered by intraperitoneal injection as a single
dose of 40 mg/kg. Animals from the appropriate groups
(5 animals/sex/group) were sacrificed by carbon dioxide
asphyxiation at appropriately 24, 48 and 72 hours after
dose administration. Animals dosed with
cyclophosphamide were sacrificed at 24 hours only.
Immediately upon sacrifice, the bone marrow was removed
from both femurs of each animal, resuspended, and
prepared for microscopy. Samples were blindly coded and
stained with acridine orange.

GLP Deviations: Analysis of the material stability and


purity were the responsibility of the study sponsor, it
is not known whether these procedures were performed.

Results

Effect on
PCE/NCE ratio: None
Genotoxic effects: Under the conditions of this study, Alkenes, C6
were clastogenic to the bone marrow of B6C3F1 mice
when administered by oral gavage at 5.0 g/kg 24
hours prior to analysis, but not at 48 and 72
hours post-exposure.

NOEL: 2.5 g/kg

Remarks: The test material induced a statistically significant


increase in the mean number of micronucleated
polychromatic erythrocytes per 1000 cells at 5.0 g/kg
for the 24-hour males and females (6.8 +/- 3.12 and 5.4
+/- 2.1, respectively). The mean number of
micronucleated polychromatic erythrocytes for the
positive controls at 24 hours for males and females were
36.2 +/- 10.5 and 30.4 +/- 9.0 and the negative controls
were 2.4 +/- 0.9 and 2.6 +/- 1.5. The increase in
micronucleated polychromatic erythrocytes observed at 24
hours was dose-related. However, at 48 and 72 hours
after the initial exposure, the mean number of
micronuclei did not differ between the control and
treated groups. The test substance did not induce a
statistically significant decrease in the mean percent
of polychromatic erythrocytes, indicating that the test
substance is not toxic to bone marrow. The positive
control induced significant increases in the mean number
of micronucleated polychromatic erythrocytes. The
positive control also induced a statistically
significant decrease in the mean percent of
micronucleated polychromatic erythrocytes in male mice.
Carrier control values for the mean percent of
micronucleated polychromatic erythrocytes and the mean
number of micronucleated polychromatic erythrocytes were
within the normal range for the negative controls.

Alkenes, C6 produced a slight, transient increase in


micronucleated polychromatic erythrocytes at the highest
level by oral gavage. However, given that inhalation is
the primary route of industrial exposure, a micronucleus

150 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
study was repeated with inhalation as the route of
administration. This study produced negative results
(Section 5.7.A). In addition, Alkenes, C6 are not
mutagenic in vitro. Collectively, these data suggest
that Alkenes, C6 are not expected to be genotoxic.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Exxon Biomedical Sciences, Inc. (1991b) Alkenes, C6: In


vivo Mammalian Bone Marrow Micronucleus Assay: Oral
Gavage Method (unpublished report).

C. Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene (GULFTENE 6)

Method

Method/guideline: OECD 474


Type: Micronucleus Assay
GLP: Yes
Year: 1983
Species: Mouse
Strain: Crl:CD-1 (ICR)BR
Sex: Male and female
Route of
Administration: Inhalation – vapor
Concentration levels: Target exposure of test substance: 1000, 10,000,
25,000 ppm (3442, 34,421, 86,053 mg/m3); Actual
mean exposure (TWA): Day 1 = 991, 10758, 25302 ppm
(3.4, 37, 87 g/m3 ); Day 2 = 1244, 10272, 23271ppm
(4.3, 35, 80 g/m3 )

Exposure period: 2 hours/day for 2 consecutive days


Statistical methods: Statistical analysis included calculation of means
and standard deviations of the body weight and
micronuclei data and a test of equality of group
means by a student’s t-test at each time period.
The data were also compared to those in pertinent
historical data files. Data from males and
females were analyzed separately. The test would
be considered positive if there were a significant
increase in micronucleated PCEs at any dose level
and if a dose-related response were evident.

Test Conditions: The test substance was aerosolized with a ball-jet


nebulizer using clean, filtered air. To achieve 1000
ppm, air was passed over the liquid surface and the
resultant vapor diluted further with air. To achieve
10,000 and 25,000 ppm, the test substance was drawn
through a submerged feeding tube to the nebulizer jet.
The released vapor was diluted with air as needed. The
negative control group received only clean, filtered
air. The chambers were sampled before and during the
treatment interval. Nominal and actual concentrations
were determined by net weight loss of the test material

UNEP PUBLICATIONS 151


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
and by gas chromatography, respectively. Particle size
was determined once daily for each exposure chamber with
an aerodynamic particle sizer. Results indicate that the
particulate matter was less than 1% by weight of the
chamber atmosphere.

Mice (45 each) were 12 weeks of age and weighed 35-43 g


(males) and 26-33 g (females) at the start of treatment.
Test substance and the sham air negative control were
administered to 10 animals/sex/per group on Day 1 and 2.
The positive control, cyclophosphamide (7.5 mg/ml in
0.9% sodium chloride), was administered by
intraperitoneal injection as a single dose of 75 mg/kg
to 5 animals/sex on Day 1. Animals were weighed on Days
1, 3, and 4 and observed daily. Animals from each group
were sacrificed on Day 3 and 4 except that animals given
cyclophosphamide were sacrificed only on Day 3.
Immediately after sacrifice, bone marrow smears were
prepared. Samples were stained with May-Grunwald and
Giemsa stains and examined microscopically. To
determine the percentage of micronuclei, 1000 PCE from
each animal were examined for micronuclei. To determine
the percentage of PCE, the number of PCE in a total of
1000 erythrocytes was determined.

Results

Effect on
PCE/NCE ratio: An equivocal decrease in the ratio of PCE to
normochromatic erythrocytes (NCE) was observed in test
substance treated females at all dose levels on Day 3
(PCE/NCE = 1.6, 1.2, 0.9, 1.1 for 0, 1000, 10000, 25000
ppm, respectively)

Genotoxic effects: Negative

NOEL: 25,000 ppm (86,053 mg/m3) (nominal, vapor)

Remarks: One male mouse died on Day 3 due to wounds received from
another male. Treatment-related findings were lethargy
and rapid respiration during exposure to 10,000 and
25,000 ppm. Recovery was rapid when the mice were
returned to an air atmosphere. There was no treatment-
related change in body weight.

The test material did not induce a statistically


significant increase in the mean number of
micronucleated polychromatic erythrocytes, indicating
that the test substance is not clastogenic. The
positive control did induce a statistically significant
increase in the mean number of micronucleated
polychromatic erythrocytes.

Reliability: (1) Reliable without restrictions

References: Gulf Life Sciences (1983) Micronucleus Test in Mouse


Bone Marrow: GULFTENE 6 Administered by Inhalation
Using 2 Daily 2-Hour Treatments, project #82-119
(unpublished report).

152 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
Other: This study was included in the dossier for 1-hexene at
SIAM 11. Additional information has been added.

5.8 Carcinogenicity

No data available

5.9 Reproductive Toxicity (including Fertility and Developmental Toxicity).

A. Fertility

(1) Test Substance

Identity: CAS No. 68526-52-3, Alkenes C6, internal branched


Remarks: Composition: C5 n-olefins = 0.5%, C5 iso-olefins =
1.3%, C6 n-olefins = 10.4%, C6 iso-olefins =
55.6%, C5 n-paraffins = 3.3%, C5 iso-paraffins =
9.3%, C6 iso-paraffins = 17.8%, C7 iso-olefins =
1.0%

Method

Method/guideline: OECD 422


Test type: Combined repeated dose toxicity study with
reproduction/developmental toxicity screening test
GLP: Yes
Year: 2002
Species: Rat
Strain: Sprague-Dawley Crl:CD®(SD)IGS BR
Route of
Administration: Oral gavage
Concentration levels: 0, 100, 500 or 1000 mg/kg b.w./day
Sex: Males and females
Control group
and treatment: Concurrent vehicle control (corn oil)
Frequency of
treatment: Daily
Duration of test: Up to 53 days (reproduction phase), see
Remarks
Premating exposure
period for males: 14 days
Premating exposure
period for females: 14 days
Statistical methods: Data for the reproduction/developmental
screening study, including body weights,
body weight gain, food consumption and mean
live litter size were analyzed by One-Way
Analysis of Variance (ANOVA). If
significance was detected, control to
treatment group comparisons were performed
using Dunnett’s test. Count data were
analyzed using R x C Chi-Square test
followed by Fishers Exact Test for
copulation and fertility indices, pup sex
ratios, the number of live and dead pups per
group (on lactation day 0) and pup survival
(after lactation day 0). All analyses were

UNEP PUBLICATIONS 153


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
two-tailed with a minimum significance level
of 5% (p<0.05).

Test Conditions: This study was conducted to: (1) provide screening
information on the repeated-dose systemic toxicity
of the test substance, with emphasis on potential
neurological effects, and (2) serve as a
screening study for potential reproductive and
developmental effects in male and female rats.

REPRODUCTIVE TOXICITY PHASE (see Section 5.5.A for


the test conditions for general toxicity phase,
including information for reproductive toxicity
phase males): On the day following receipt,
animals were approximately 9 wks of age and
weighed 237 – 296 g (males) and 183 - 234 g
(females). Animals were acclimated for 17 days
prior to dosing. The study consisted of one
control group and three treatment groups with 12
animals in each group. Animals were dosed for a
minimum of 14 days prior to mating and continuing
through lactation day 3. Detailed clinical
observations were performed a minimum of weekly
until evidence of mating was detected, daily
during gestation and lactation and on the day of
scheduled euthanasia. Individual body weights were
recorded on days 0, 3, 7 and 12 prior to mating.
When positive evidence of mating was detected, the
females were weighed on gestation days 0, 7, 14,
and 20. Following parturition, the females were
weighed on lactation days 1 and 4. Females without
evidence of mating were weighed twice weekly until
euthanasia. Individual food consumption was
recorded on the same days as body weights (except
during cohabitation). Following a minimum of 14
days of treatment, each female was cohabited with
a single male from the same treatment group (1:1
pairing) in the toxicity study. Each mating pair
was observed daily for evidence of copulation.
Evidence of mating was determined by the presence
of a copulatory plug in the vagina or a sperm
positive vaginal smear. The day evidence of
copulation was confirmed was designated as day 0
of gestation and the female was returned to her
cage. If no evidence of copulation was observed
after 14 days of mating, the female was separated
from the male and the mating phase was concluded.
On gestation day 18, females with confirmed
copulation were transferred to individual nesting
boxes. The females and their offspring remained
together until lactation day 4. All animals were
subjected to a complete gross necropsy examination
at the time of death or euthanasia (lactation day
4 or post-breeding period day 25). Females with
total litter loss were euthanized on the day that
no surviving pups remained. Organ weights (liver,
kidneys, adrenals, thymus, spleen, brain and
heart) were recorded from surviving animals and
the following tissues and organs were preserved
from all animals: all gross lesions, accessory
genital organs, adrenals, aorta, brain, cecum,

154 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
colon, duodenum, esophagus, exorbital lachrymal
glands, eyes with optic nerve, femur, heart,
ileum, jejunum, kidneys, liver, lungs, mammary
gland, mesenteric/mandibular/ mediastinal lymph
nodes, ovaries, pancreas, peripheral nerve,
pituitary, rectum, skeletal muscle, skin, spinal
cord, spleen, sternum with bone marrow, stomach,
submaxillary salivary gland, testes, thymus,
thyroid, parathyroid, tongue, trachea, and urinary
bladder. All tissues and organs collected at
necropsy from males in the control and high-dose
groups and animals found dead, gross lesions from
males in the low- and mid-dose groups, and all
gross lesions in F0 females were examined
microscopically. The following parameters were
recorded for each pup during lactation: viability
(daily from days 0 – 4), external examinations and
sex determinations (days 0 and 4); and body
weights (days 1 and 4). Pups that were stillborn
or died were subjected to a gross necropsy
examination, with emphasis on developmental
morphology. All internal gross lesions (except
atelectasis; and scabbing, subcutaneous hemorrhage
or other lesions resulting from apparent
cannibalism) were preserved. All surviving pups
were euthanized on lactation day 4 and examined
macroscopically for structural abnormalities or
other pathologi-cal changes. All gross lesions
were preserved.

Results

NOAEL (NOEL): NOAEL (reproductive toxicity, paternal and F1) =


1000 mg/kg/day (study author assigned)

Actual dose received


by dose level by
sex if known: As administered. Analysis of dosing mixtures
confirmed that mixtures were accurately prepared.

Remarks: No test article-related mortality occurred in


males or F0 females. One F0 female in the 500
mg/kg/day group was found dead on lactation day 0.
No adverse clinical signs were observed for this
female prior to death. One other F0 female in the
500 mg/kg/day group was euthanized due to total
litter loss on lactation day 2, the day all pups
in the litter were found dead. This female had
apparent dystocia. The animal appeared to have a
blockage in the vaginal area; slight pressure was
applied and 2 pups were delivered. The female
delivered a total of 17 pups (2 live and 15 dead).
Clinical signs including eyelids partially closed,
eyes and skin pale in color and labored breathing
were noted for this female following the onset of
parturition. Two females in the 100 mg/kg/day
group and one female in the 1000 mg/kg/day group
with no evidence of mating were euthanized on
post-breeding period day 25. No remarkable
clinical signs were observed for these females.
All other females survived to scheduled euthanasia

UNEP PUBLICATIONS 155


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
on lactation day 4. Most clinical signs observed
for the surviving F0 females were generally
unremarkable and did not appear to follow any dose
response pattern. However, a low incidence of
post-dose salivation was seen in 4 of 12 females
in the 1000 mg/kg/day group. Post-dose salivation
was observed for males (11/12) in the 1000
mg/kg/day group. Remarkable clinical signs in
males in the 500 mg/kg/day group were limited to a
single incidence of post-dose salivation in 1
male. No remarkable clinical signs were observed
for males in the 100 mg/kg/day group.

There were no statistically significant or


toxicologically meaningful differences noted in
mean body weights or body weight gain for males or
for F0 females, or food consumption for males.
Mean food consumption of F0 females in the 1000
mg/kg/day group was statistically higher than
controls during gestation days 14-20. This
difference was not considered toxicologically
meaningful since it did not follow a consistent
pattern and was an increase rather than a
decrease.

The F0 female mating index was 100%, 83.3%, 100%


and 91.7% in the 0, 100, 500 and 1000 mg/kg/day
groups, respectively. The F0 female fertility
index was 100% in the control and test article-
treated groups. The F0 mean gestation length was
21.9, 22.0, 21.8 and 21.7 days in the 0, 100, 500
and 1000 mg/kg/day groups, respectively. Totals of
12, 10, 12 and 11 F0 females in the 0, 100, 500
and 1000 mg/kg/day groups, respectively, completed
delivery.

The mean number of F1 pups delivered and the live


birth index were comparable between the control
and test substance-treated groups. However, the
viability index of pups in the 500 mg/kg/day group
was statistically lower than controls. This
difference was not considered toxicologically
meaningful since a similar difference was not
noted for pups in the 1000 mg/kg/day group. The
mean number of implantation sites and mean number
of corpora lutea were comparable between the
control and test substance-treated groups. The
mean live pups per litter and the pup sex ratio
were comparable between the control and test
substance-treated groups on lactation days 0 and
4. Mean pup weights were slightly but not
statistically lower than controls in the 500
mg/kg/day group on lactation day 1 (6.8 g) and in
the 1000 mg/kg/day group on lactation days 1 and 4
(6.7 and 9.3 g, respectively). However, the mean
body weights in these groups were within the range
of the laboratory’s historical control data (i.e.,
6.5-7.5 g on lactation day 1 and 8.5-11.1 g on
lactation day 4). Mean pup weights in the 100
mg/kg/day group were comparable to controls on
lactation days 1 and 4.

156 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005

No remarkable gross necropsy findings were noted


for surviving F0 females in the control or test
substance-treated groups, and there were no
toxicologically meaningful differences in absolute
or relative organ weights between the groups. No
toxicologically meaningful microscopic findings
were noted for F0 females in the treated groups.

( See Section 5.5.A for additional general


toxicity results for males and females; and
Section 5.9.B(1) for developmental toxicity
results.)

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint.

References: Thorsrud, B.A. (2003) A combined repeated dose


toxicity study and reproduction/developmental
screening study in Sprague Dawley rats with (C6)
alkenes, Study No. 3604.2, Springborn
Laboratories, Inc., Ohio Research Center,
Spencerville, Ohio; conducted for American
Chemistry Council (Higher Olefins Panel)
(unpublished report).

(2) Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene

Remarks: Three test articles were blended to produce the


final test article consisting of 90-100% 1-hexene
(NEODENE 6, GULFTENE 6 and alpha olefin 6).

Method

Method/guideline: 0ECD 421 (modified) (see Sec. 5.5.D for general


toxicity endpoints)
Type: Reproduction/Developmental Toxicity Screening
Study
GLP: Yes
Year: 1995
Species: Rat
Strain: Sprague-Dawley
Route of
administration: Oral gavage
Concentration levels: 0, 100, 500, 1000 mg/kg/day
Sex: Male and female
Control group
and treatment: Corn oil by oral gavage
Frequency of treatment: Daily
Duration of test: Males: 44 days; females: 41-55 days
Premating exposure
period for males: 28 days
Premating exposure
period for females: 14 days
Statistical methods: Continuous data, including body weights,
body weight gain, feed consumption, organ
weights, pup body weights, gestation length,

UNEP PUBLICATIONS 157


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
mean live litter size and implantation scar
counts were analyzed by using a One-Way
analysis of Variance. If significance
[P<0.05] was detected, group by group
comparisons were performed using Dunnett’s
test. Count data were analyzed utilizing
Chi-Square test for copulation and fertility
indices, pup sex ratios, the number of live
and dead pups per group on lactation day 0
and pub survival after lactation day 0. All
analyses utilized two-tailed tests for a
minimum significance level of 5% comparing
the control to the treated groups.

Test Conditions: 12 male rats (195-242 g, 6 weeks old) per group


were exposed for 28 days prior to mating, and
through mating until euthanasia for a total of 44
consecutive days of dosing; 12 females (163-219
g, 8 weeks old) per group were dosed for 14 days
prior to mating, during mating, gestation and
lactation through euthanasia at lactation day 4
[41-55 consecutive days]. Dose levels were 0,
100, 500, 1000 mg/kg/day in a corn oil vehicle [5
mL/kg]. Viability and development of the pups were
followed through lactation day 4. Animals were
observed daily for clinical signs of toxicity.
Body weights and food consumption were determined
weekly. Each male was cohabited with one female
and observed daily for evidence of copulation. If
no evidence of copulation was confirmed after 10
days of cohabitation, the female was separated
from the first male and placed with a second
(proven) male for a maximum of 5 days. Females
that delivered were necropsied on lactation day 4.
Females that failed to deliver were necropsied 25
days after evidence of mating was detected. For
females, the number of uterine implantation scars
was recorded and the ovaries and brain were
weighed. For males, after 43 days of dosing, the
viscera were examined, and brain, testes and
epididymides weighed. The ovaries, testes,
epididymides, liver, kidneys, and peripheral
(sciatic) nerve of control and high dose animals,
the kidneys of the low and mid dose animals, and
all gross lesions from each group, were processed
for microscopic examination. Pup viability,
weight, and a detailed examination of the pups
including sex determination, were performed on
lactation days 0 and 4. All intact pups dying
prior to lactation day 4 were necropsied and
examined with emphasis on developmental
morphology.

Results

NOEL: NOEL for P generation (reproductive effects) >1000


mg/kg;
NOEL for F1 generation > 1000 mg/kg/day

Actual dose received


by dose level by

158 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
sex if known: As administered. Analysis of dosing mixtures
confirmed that mixtures were accurately prepared.

Maternal and Paternal


general toxicity: see Sec. 5.5.D

Reproductive toxicity
observed in parental
animals: none

Reproductive toxicity
observed in offspring: none

Remarks: There was no evidence of impaired reproductive


capabilities in the F0 generation, as measured by
effects on copulation and fertility, precoital
intervals, gestation length, time to delivery or
unusual nesting behaviour.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Gingell, R., Daniel, E.M., Machado, M, and Bevan,


C. (2000) Reproduction/developmental toxicity
screening test in rats with orally-administered 1-
Hexene. Drug and Chem. Toxicology 23(2)327-338.

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added.

(3) Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene (99+%, NEODENE 6


alpha olefin)

Method

Method/guideline: 0ECD 413 (see Section 5.5.B for general toxicity


endpoints)
Type: 90-day subchronic inhalation toxicity study
GLP: Yes
Year: 1984
Species: Rat
Strain: F344
Route of
administration: Inhalation
Concentration levels: 0, 300, 1000, 3000 ppm (0, 1033, 3442,
10,326 mg/m3 )
Sex: Males and females
Control group
and treatment: Air exposed
Freq. of treatment: 6 hr/day, 5 days/week, 13 weeks
Duration of test: 13 weeks
Statistical methods: Unadjusted body weights were analyzed by
Dunnet’s test. Organ weights, clinical
chemistry, hematology, urinalysis, and
organ-to-body weight ratio data were

UNEP PUBLICATIONS 159


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
analyzed by Dunnett’s t-test on ranked data.
The Rotarod data for neuromuscular
coordination were adjusted by summing the
time for the best 3 of 4 trials for each
rat.

Test Conditions: The objective of this study was to evaluate the


toxicity of 1-hexene following repeated inhalation
exposures in male and female Fischer 344 rats.
Groups of young 40 male and 40 female rats (125-
160 g at study initiation) were exposed for 6
hours per day, 5 days per week, over a 13-week
period. Treatment groups (10 rats/sex/group)
consisted of air-exposed control (0 ppm) and three
test groups of 300, 1000, and 3000 ppm 1-hexene.
During the treatment period, the rats were
observed daily for clinical signs of toxicity;
body weights were measured at 7-day intervals.
After 7 weeks of exposure and at the end of the
treatment period, the rats were subject to
macroscopic and microscopic pathology, clinical
chemistry, hematology, urinalysis, and sperm
counts. Reproductive organ examined at necropsy:
right testicle without epididymides. Reproductive
organs examined microscopically: right testicle
and epididymides. (See Section 5.5.B for details
for general toxicity endpoints.). The left
testicle from each male rat in the main study at
the interim and final sacrifice was used for sperm
enumeration. The testis was detunicated, weighed,
homogenized and sonicated in distilled water, and
aliquots of homogenate were removed for sperm head
count determination. Counts were performed with a
hemocytometer and phase-contrast microscopy.

Results

NOAEL: The NOEL for reproductive effects from the limited


data for reproductive organs and sperm counts in
the 90-day study appears to be at the mid-
concentration of 1000 ppm.

Actual dose received


by dose level by sex: 0, 300, 1000, 3000 ppm

Remarks: Please see Repeated Dose Toxicity Section 5.5.B


for general toxicity results.

At terminal sacrifice, there appeared to be a


dose-related increase in testes weight which was
statistically significant at the highest exposure
concentration of 3000 ppm (see page 189 of the
original study); however, when the left testicle
was detunicated prior to weighing, there was no
statistically significant increase in testis
weight compared with the controls. This increase
in testes weight did not appear to be accompanied
by any histopathology nor any apparent effect on
sperm count. Sperm morphology and motility were
not evaluated. An increase in sperm counts and
testis weight in all animals at terminal sacrifice

160 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
was observed when compared to the interim
sacrifice (page 121 vs 189 in the original study),
however, the increase was considered to be
attributed to the increase in age of the animal.
Since testes weight measurements in and of
themselves do not indicate the exact nature of an
effect, a significant increase or decrease is
indicative of an adverse effect. In this case,
there was no histopathology and the sperm counts
were within control range. However, damage to the
testes may be detected as a weight change only at
doses higher than those required to produce
significant effects in other measures of gonadal
status and it appears that only a minimal
evaluation of gonadal status was conducted in this
90-day study. As a result the significance of
increases in testes weight is unclear.

Reliability: (1) Reliable without restrictions

References: Gingell R, Bennick JE, and Malley LA., 1999.


Subchronic inhalation study of 1-hexene in Fischer
344 rats Drug Chem Toxicol. 22(3):507-28.

[USEPA review of unpublished Shell Development


Company report (90-Day Vapor Inhalation Study in
Rats with NEODENE 6 Alpha Olefin, WTP-207, 1984)
conducted by Katherine Anitole [8/26/99.]

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added.

B. Developmental Toxicity

(1) Test Substance

Identity: CAS No. 68526-52-3, Alkenes C6, internal branched


Remarks: Composition: C5 n-olefins = 0.5%, C5 iso-olefins =
1.3%, C6 n-olefins = 10.4%, C6 iso-olefins =
55.6%, C5 n-paraffins = 3.3%, C5 iso-paraffins =
9.3%, C6 iso-paraffins = 17.8%, C7 iso-olefins =
1.0%

Method

Method/guideline: OECD 422


Test type: Combined repeated dose toxicity study with
reproduction/developmental toxicity screening test
GLP: Yes
Year: 2002
Species: Rat
Strain: Sprague-Dawley Crl:CD®(SD)IGS BR
Route of
Administration: Oral gavage
Concentration levels: 0, 100, 500, or 1000 mg/kg b.w./day
Sex: Males and females
Control group
and treatment: Concurrent vehicle control (corn oil)
Frequency of

UNEP PUBLICATIONS 161


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
treatment: Daily
Duration of test: Up to 53 days (reproduction phase), see
Remarks
Premating exposure
period for males: 14 days
Premating exposure
period for females: 14 days
Statistical methods: Data for the reproduction/developmental
screening study, including body weights,
body weight gain, food consumption and mean
live litter size were analyzed by One-Way
Analysis of Variance (ANOVA). If
significance was detected, control to
treatment group comparisons were performed
using Dunnett’s test. Count data were
analyzed using R x C Chi-Square test
followed by Fishers Exact Test for
copulation and fertility indices, pup sex
ratios, the number of live and dead pups per
group (on lactation day 0) and pup survival
(after lactation day 0). All analyses were
two-tailed with a minimum significance level
of 5% (p<0.05).

Test Conditions: This study was conducted to: (1) provide screening
information on the repeated-dose systemic toxicity
of the test substance, with emphasis on potential
neurological effects, and (2) serve as a
screening study for potential reproductive and
developmental effects in male and female rats.

REPRODUCTIVE TOXICITY PHASE: See Section 5.5.A


for test conditions for the general toxicity
phase, and Section 5.9.A(1) for test conditions
for the reproductive toxicity phase.

Results

NOAEL (NOEL): NOAEL (maternal and developmental toxicity) =


1000 mg/kg/day (study author assigned)

Actual dose received


by dose level by
sex if known: As administered. Analysis of dosing mixtures
confirmed that mixtures were accurately prepared.

Remarks: See Section 5.5A for general toxicity results, and


Section 5.9.A(1) for additional reproductive
toxicity results.

The mean number of F1 pups delivered and the live


birth index were comparable between the control
and test substance-treated groups. However, the
viability index of pups in the 500 mg/kg/day group
was statistically lower than controls. This
difference was not considered toxicologically
meaningful since a similar difference was not
noted for pups in the 1000 mg/kg/day group. The
mean number of implantation sites and mean number
of corpora lutea were comparable between the
control and test substance-treated groups. The

162 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
mean live pups per litter and the pup sex ratio
were comparable between the control and test
substance-treated groups on lactation days 0 and
4. Mean pup weights were slightly but not
statistically lower than controls in the 500
mg/kg/day group on lactation day 1 (6.8 g) and in
the 1000 mg/kg/day group on lactation days 1 and 4
(6.7 and 9.3 g, respectively). However, the mean
body weights in these groups were within the range
of the laboratory’s historical control data (i.e.,
6.5-7.5 g on lactation day 1 and 8.5-11.1 g on
lactation day 4). Mean pup weights in the 100
mg/kg/day group were comparable to controls on
lactation days 1 and 4.

There were no toxicologically meaningful


differences in pup observations during lactation.
There appeared to be a slight increase in the
incidence of subcutaneous hemorrhage(s) and pups
small in size (qualitative measurement) for F1
pups in the 1000 mg/kg/day group during lactation
days 0-4. However, these changes were not
considered toxicologically meaningful since the
subcutaneous hemorrhages were distributed over
many parts of the body and the pup body weights
were within the historical control range. No other
remarkable findings were noted in the pups during
lactation.

No remarkable gross necropsy findings were noted


for pups found dead during the study or euthanized
at study termination. A low incidence of commonly
occurring findings was noted sporadically
throughout the groups; but, none of the findings
followed a consistent pattern or dose response.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint.

References: Thorsrud, B.A. (2003) A combined repeated dose


toxicity study and reproduction/developmental
screening study in Sprague Dawley rats with (C6)
alkenes, Study No. 3604.2, Springborn
Laboratories, Inc., Ohio Research Center,
Spencerville, Ohio; conducted for American
Chemistry Council (Higher Olefins Panel)
(unpublished report).

(2) Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene

Remarks: Three test articles were blended to produce the


final test article consisting of 90-100% 1- hexene
(NEODENE 6, GULFTENE 6 and alpha olefin 6).

Method

Method/guideline: 0ECD 421 (modified)

UNEP PUBLICATIONS 163


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
Type: Reproduction/Developmental Toxicity Screening
Study
GLP: Yes
Year: 1995
Species: Rat
Strain: Sprague-Dawley
Route of
administration: Oral gavage
Concentration levels: 0, 100, 500, 1000 mg/kg/day
Sex: Male and female
Control group
and treatment: Corn oil by oral gavage
Frequency of treatment: Daily
Duration of test: Males: 44 days; females: 41-55 days
Premating exposure
period for males: 28 days
Premating exposure
period for females: 14 days
Statistical methods: Continuous data, including body weights,
body weight gain, feed consumption, organ
weights, pup body weights, gestation length,
mean live litter size and implantation scar
counts were analyzed by using a One-Way
analysis of Variance. If significance
[P<0.05] was detected, group by group
comparisons were performed using Dunnett’s
test. Count data were analyzed utilizing
Chi-Square test for copulation and fertility
indices, pup sex ratios, the number of live
and dead pups per group on lactation day 0
and pub survival after lactation day 0. All
analyses utilized two-tailed tests for a
minimum significance level of 5% comparing
the control to the treated groups.

Test Conditions: 12 male rats (195-242 g, 6 weeks old) per group


were exposed for 28 days prior to mating, and
through mating until euthanasia for a total of 44
consecutive days of dosing; 12 females (163-219
g, 8 weeks old) per group were dosed for 14 days
prior to mating, during mating, gestation and
lactation through euthanasia at lactation day 4
[41-55 consecutive days]. Dose levels were 0,
100, 500, 1000 mg/kg/day in a corn oil vehicle [5
mL/kg]. Viability and development of the pups were
followed through lactation day 4. Animals were
observed daily for clinical signs of toxicity.
Body weights and food consumption were determined
weekly. Each male was cohabited with one female
and observed daily for evidence of copulation. If
no evidence of copulation was confirmed after 10
days of cohabitation, the female was separated
from the first male and placed with a second
(proven) male for a maximum of 5 days. Females
that delivered were necropsied on lactation day 4.
Females that failed to deliver were necropsied 25
days after evidence of mating was detected. For
females, the number of uterine implantation scars
was recorded and the ovaries and brain were
weighed. For males, after 43 days of dosing, the
viscera were examined, and brain, testes and

164 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
epididymides weighed. The ovaries, testes,
epididymides, liver, kidneys, and peripheral
(sciatic) nerve of control and high dose animals,
the kidneys of the low and mid dose animals, and
all gross lesions from each group, were processed
for microscopic examination. Pup viability,
weight, and a detailed examination of the pups
including sex determination, were performed on
lactation days 0 and 4. All intact pups dying
prior to lactation day 4 were necropsied and
examined with emphasis on developmental
morphology.

Results

NOEL: NOEL for maternal toxicity >1000 mg/kg


NOEL for developmental toxicity > 1000 mg/kg/day

Actual dose received


by dose level by
sex if known: As administered. Analysis of dosing mixtures
confirmed that mixtures were accurately prepared.

Remarks: There was no evidence of developmental toxicity in


the F1 generation, as measured by the number of
live and dead pups, number of litters with live
offspring, mean litter size and male to female pup
ratio, pup survival and weights, and external
observations.

No mortality or clinical signs of toxicity were


observed. For the F0 males and females at the top
dose, gross and histological examination of the
ovaries , testes, epididymides, liver, kidneys ,
and peripheral [sciatic] nerve was performed;
kidneys were also examined at the mid and low dose
levels. The only gross finding was pitted kidneys
in a few mid and top dose males, and the only
histological finding was dose-related
accumulations of hyaline droplets in the
epithelial cells of the convoluted tubules of the
kidneys of males; no such effect was observed in
female rats. This condition was diagnosed as
hydrocarbon nephropathy, which is considered
specific to young adult male rats; there is no
indication that similar nephropathy will occur in
humans exposed to 1-hexene.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Gingell, R., Daniel, E.M., Machado, M, and Bevan,


C. (2000) Reproduction/Developmental Toxicity
Screening Test in Rats with Orally-Administered 1-
Hexene. Drug and Chem. Toxicology 23(2)327-338.

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added. This study also appears in Section

UNEP PUBLICATIONS 165


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
5.9.A(2), Fertility and Section 5.5.D, Repeated
Dose Toxicity.

5.10 Other Relevant Information

A. Aspiration

Test Substance

Identity: C6-C18 even numbered alpha olefins

Method

Type: General toxicity – aspiration


Species: Rat
Strain: Wistar
Sex: Male
Route of
Administration: aspiration
Dose: 0.2 mL

Results: See Remarks

Remarks: C6-C18 alkenes (even carbon numbers, alpha olefins),


source and purity unspecified, were assessed for
aspiration hazard in an animal study using Wistar rats.
Four or five males were used per test article. Two-
tenths mL of the test material was placed in the mouths
of rats that had been anesthetized to the point of apnea
in a covered wide mouth gallon jar containing about 1
inch of wood shavings moistened with approximately 1
ounce of anhydrous diethyl ether. As the animals began
to breathe again, the nostrils were held until the test
material had been aspirated or the animal regained
consciousness. All alkenes tested except 1- hexene were
aspirated into the lungs. 1-Hexene was difficult to
dose because of its volatility. Two animals survived
because the hydrocarbon “boiled” out of the mouth before
it was aspirated. All animals exposed to C8 to C14 died
within 24 hours. With C16 and C18, there was only one
death (C18). Lung weights were increased in alkenes-
treated animals compared with controls. The affected
animals showed chemical pneumonitis. The report
concluded that there is a significant aspiration hazard
with C6 to C14 alkenes.

Reference: Gerarde, H.W. (1963) Toxicological Studies on


Hydrocarbons. Archives of Environmental Health 6:329-
341.

Other: This study was included in the dossier for 1-hexene at


SIAM 11. Additional information has been added.

166 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
B. Neurotoxicity

(1) Test Substance

Identity: CAS No. 68526-52-3, Alkenes C6 , internal branched


Remarks: Composition: C5 n-olefins = 0.5%, C5 iso-olefins =
1.3%, C6 n-olefins = 10.4%, C6 iso-olefins =
55.6%, C5 n-paraffins = 3.3%, C5 iso-paraffins =
9.3%, C6 iso-paraffins = 17.8%, C7 iso-olefins =
1.0%

Method

Method/guideline: OECD 422


Test type: Combined repeated dose toxicity study with
reproduction/developmental toxicity screening test
GLP: Yes
Year: 2002
Species: Rat
Strain: Sprague-Dawley Crl:CD®(SD)IGS BR
Route of
Administration: Oral gavage
Duration of test: Up to 38 days (general systemic toxicity and
neurotoxicity), see Remarks
Concentration levels: 0, 100, 500, or 1000 mg/kg b.w./day
Sex: Males and females
Exposure period: Minimum of 28 days and up to 38 days; see
remarks
Frequency of
treatment: Once daily
Control group
and treatment: Concurrent vehicle control (corn oil)
Statistical methods: Data for the toxicity study, including body
weights, body weight gain, food consumption,
were analyzed by One-Way Analysis of
Variance (ANOVA). If significance was
detected (p<0.05), pairwise group
comparisons were performed using the Tukey-
Kramer test. Descriptive (categorical) data
and quanta data were analyzed by Fisher’s
Exact Test. When significance was observed,
group by group comparisons were performed
using Fisher’s Exact Test. All analyses were
two-tailed with a minimum significance level
of 5% (p<0.05).

Test Conditions: This study was conducted to: (1) provide screening
information on the repeated-dose systemic toxicity
of the test substance, with emphasis on potential
neurological effects, and (2) serve as a
screening study for potential reproductive and
developmental effects in male and female rats.

GENERAL TOXICITY AND NEUROTOXICITY PHASE: See


Section 5.5.A for complete test conditions for the
general toxicity and neurotoxicity phase. For the
neurotoxicity evaluation, an abbreviated
functional observation battery (FOB), including
home cage, removal from home cage and open field
evaluation, was performed prior to study

UNEP PUBLICATIONS 167


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
initiation and weekly thereafter. A full FOB,
including home cage, removal from home cage, open
field evaluation, manipulative tests and motor
activity measurements, was performed following 28
days of treatment., An open field chamber (San
Diego Instruments, San Diego, CA) was used for the
motor activity assessment. For each animal, the
test consisted of a one-hour observation period in
the chamber, under red lighting, with white noise
from a SPER Scientific Sound Meter, Model 840029
(73-74 dB).

Results

NOAEL (NOEL): NOEL (neurotoxicity) = 1000 mg/kg/day (reviewer


assigned)

Actual dose received


by dose level by
sex if known: As administered. Analysis of dosing mixtures
confirmed that mixtures were accurately prepared.

Remarks: No statistically significant or toxicologically


meaningful differences were noted in the
functional observation battery evaluations. See
Section 5.5A for general systemic toxicity
results, and Sections 5.9.A (1) and 5.9.B(1) for
reproductive toxicity results.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint.

References: Thorsrud, B.A. (2003) A combined repeated dose


toxicity study and reproduction/developmental
screening study in Sprague Dawley rats with (C6)
alkenes, Study No. 3604.2, Springborn
Laboratories, Inc., Ohio Research Center,
Spencerville, Ohio; conducted for American
Chemistry Council (Higher Olefins Panel)
(unpublished report).

(2) Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene (90 – 100%,


NEODENE 6 alpha olefin)

Method

Method/guideline: OECD 413


Test type: 90-day subchronic inhalation toxicity study
GLP: Yes
Year: 1984
Species: Rat
Strain: F344
Route of Admin.: Inhalation – vapor
Duration of test: 90 days
Doses: 0, 300, 1000, 3000 ppm (0, 1033, 3442, 10,326
mg/m3 )
Sex: Males and females
Exposure period: 6 hr/day

168 UNEP PUBLICATIONS


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005
Freq. of treatment: 5 days/week, 13 weeks
Control group: Air exposed
Post exposure
observation period: Not applicable
Statistical methods: The Rotorod data for neuromuscular
coordination were adjusted by summing the
time for the best 3 of 4 trials for each
rat.

Test Conditions: See Section 5.5.B

Results

NOAEL (NOEL): NOAEL = 3000 ppm (neurotoxicity)

Actual dose received


by dose level by sex
(if known): 0, 300, 1000, 3000 ppm

Remarks: Exposure to 1-hexene did not affect neuromuscular


coordination in females as determined using the
Rotorod.

Reliability: (1) Reliable without restrictions

References: Gingell, R., Bennick, J.E., and Malley, L.A.


(1999) Subchronic inhalation study of 1-hexene in
Fischer 344 rats. Drug Chem Toxicol. 22(3):507-28.

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added.

(3) Test Substance

Identity (purity): CAS No. 592-41-6, 1-Hexene (90 – 100%,


NEODENE 6 alpha olefin)

Method

Method/guideline: OECD 407


Test type: 28-day oral repeated dose study
GLP: Yes
Year: 1994
Species: Rat
Strain: Wistar
Route of Admin.: Oral gavage
Duration of test: 28 days
Doses: 0, 10, 101, 1010, 3365 mg/kg/day
Sex: Males and females
Exposure period: 28 days
Freq. of treatment: daily for 28 days
Control group: Dosed with water
Post exposure
observation period: none
Statistical methods: No data

Test Conditions: See Section 5.5.C

Results

UNEP PUBLICATIONS 169


OECD SIDS HEXENE
5. TOXICITY ID: 25264-93-1
DATE: 28.04.2005

NOAEL (NOEL): NOEL = 3365 mg/kg/day (neurotoxicity)

Actual dose received


by dose level by sex
(if known): No data

Remarks: Neuromuscular coordination [by rotorod] were


unaffected.

Reliability: (1) Reliable without restrictions

References: Dotti, A., Duback-Powell, J.R., Biderman, K., and


Weber, K. (1994) 4-week oral toxicity (gavage)
study with 1-hexene in the rat. RCC Project
332695. Cited in HEDSET.

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added.

5.11 Experience with Human Exposure

Test Substance: CAS No. 592-41-6, 1-Hexene

Remark: In a review, Cavender (1998) noted that 1-hexene,


when inhaled, may produce narcosis in humans at a
concentration of 0.1 percent with accompanying CNS
effects, mucous membrane irritation, vertigo,
vomiting and cyanosis.

Reference: Cavender, F (1998). Aliphatic Hydrocarbons. In:


Patty’s Industrial Hygiene and Toxicology. CD-ROM.
Vol. 2B, Chapter 19. Edited by Clayton GD, Clayton
FE, Cralley LJ, Cralley LV, Harris RL and Bus JS.
John Wiley & Sons, Inc., 1249.

Other: This study was included in the dossier for 1-


hexene at SIAM 11. Additional information has been
added.

170 UNEP PUBLICATIONS


OECD SIDS HEXENE
6. REFERENCES ID: 25264-93-1
DATE: 28.04.2005
Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity of compounds that may be
carried by ships [MARPOL 1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).

American Chemistry Council’s Higher Olefins Panel (2003) Personal communication.

Baehr, A.L. (1987) Selective transport of hydrocarbons in the unsaturated zone


due to aqueous and vapor phase partitioning . Water Resources Research 23, 1926-
38; EPIWIN. 2000. Estimation Program Interface for Windows, version 3.10.
Syracuse Research Corporation, Syracuse, NY. USA.

Bio/dynamics, Inc. (1979) An Acute Inhalation Toxicity Study of MRD-ECH-78-32 in


the Mouse, Rat, and Guinea Pig. Conducted for Exxon Research and Engineering
Company (unpublished report).

Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J. Beaumann and N. Tirado


(1994) Group contribution method for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.

Cavender, F (1998). Aliphatic Hydrocarbons. In: Patty’s Industrial Hygiene and


Toxicology. CD-ROM. Vol. 2B, Chapter 19. Edited by Clayton GD, Clayton FE,
Cralley LJ, Cralley LV, Harris RL and Bus JS. John Wiley & Sons, Inc., 1249.
Chemicals Inspection and Testing Institute, Japan (1992) 1-Hexene:
Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL
Japan. Japan Chemical Industry Ecology-Toxicology and Information Center.

Dotti, A., Duback-Powell, J.R., Biderman, K., and Weber, K. (1994) 4-week oral
toxicity (gavage) study with 1-hexene in the rat. RCC Project 332695. Cited in
HEDSET.

EAB-IRER (1995); USEPA EPIWIN output run by USEPA/OPPT/RAD/ECAB, 8/99.

Eide, I., R. Hagerman, K. Zahlsen, E. Tareke, M. Tornquist, R. Kumar, P. Vodicka


and K. Hemminki (1995) Uptake, distribution, and formation of hemoglobin and
DNA adducts after inhalation of C2-C8 1-alkenes [olefins] in the rat.
Carcinogenesis. 16, 1603 - 1609.

EPIWIN (2000a). Estimation Program Interface for Windows, version 3.10. Syracuse
Research Corporation, Syracuse, NY. USA.

EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

Exxon Biomedical Sciences, Inc. (1991a). Alkenes, C6: Microbial Mutagenesis in


Salmonella: Mammalian Microsome Plate Incorporation Assay. Conducted by Exxon
Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished report).

Exxon Biomedical Sciences, Inc. (1991b) Alkenes, C6: In vivo Mammalian Bone
Marrow Micronucleus Assay: Oral Gavage Method (unpublished report).

Exxon Biomedical Sciences, Inc. (1991c) Alkenes, C6: In vivo mammalian bone
marrow micronucleus assay: inhalation dosing method (unpublished report).

Exxon Biomedical Sciences, Inc. (1996) Alkenes, C6: Fish, Acute Toxicity Test.
Study #119058. Exxon Biomedical Sciences, Inc., East Millstone, NJ, USA
(unpublished report).

Exxon Biomedical Sciences, Inc. (1997) Alkenes, C6: Ready Biodegradability:


OECD 301F Manometric Respirometry. Study #119094A. Exxon Biomedical Sciences,
Inc., East Millstone, NJ, USA (unpublished report).

UNEP PUBLICATIONS 171


OECD SIDS HEXENE
6. REFERENCES ID: 25264-93-1
DATE: 28.04.2005

Gerarde, H.W. (1963) Toxicological Studies on Hydrocarbons. Archives of


Environmental Health, 6:329-341.

Gingell, R., Bennick, J.E., and Malley, L.A. (1999) Subchronic inhalation study
of 1-hexene in Fischer 344 rats. Drug Chem Toxicol. 22(3):507-28.

Gingell, R., Daniel, E.M., Machado, M, and Bevan, C. (2000)


Reproduction/developmental toxicity screening test in rats with orally-
administered 1-Hexene. Drug and Chem. Toxicology 23(2)327-338.

Goode, J.W. and Brecher, S. (1983) GULFTENE 6: BALB/3T3 transformation test,


Project 2072. Sponsored by Gulf Life Sciences Institute, Pittsburg, PA
(unpublished report).

Gould, E.S. (1959) Mechanism and Structure in Organic Chemistry, Holt, Reinhart
and Winston, New York, NY, USA.

Gulf Life Sciences (1983) Micronucleus Test in Mouse Bone Marrow: GULFTENE 6
Administered by Inhalation Using 2 Daily 2-Hour Treatments, project #82-119
(unpublished report).

Gulf Life Sciences (1984) Hepatocyte Primary Culture/DNA Repair Test of


GULFTENE 6, project #2071 (unpublished report).

Harris J C (1982a). Rate of Aqueous Photolysis. Chapter 8 in: W. J. Lyman, W. F.


Reehl, and D. H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, USA.

Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in: W.J. Lyman, W.F. Reehl,
and D.H. Rosenblatt, eds., Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.

Hazleton Laboratories America, Inc. (1982) Neohexene: Acute Inhalation Toxicity


Test in Rats. Conducted for Phillips Petroleum Company ( unpublished report).

Hazleton Laboratories America, Inc. (1982). Neohexene: Acute Oral Toxicity Study
in Rats. Conducted for Phillips Petroleum Company, (unpublished report).

Hazleton Laboratories America, Inc. (1982). Neohexene: In vitro sister chromatid


exchange assay in Chinese hamster ovary cells. Conducted for Phillips Petroleum
Company (unpublished report).

Hazleton Laboratories America, Inc. (1982). Neohexene: Salmonella typhimurium


mammalian microsome plate incorporation assay. Conducted for Phillips Petroleum
Company (unpublished report).

Hoberg, J.R. (2003) C6 Hexene – Acute Toxicity Test with the Water Fleas,
Daphnia magna, Under Static and Sealed Vessel Conditions. Study No. 13761.6114,
Springborn Smithers Laboratories, Wareham, Massachusetts, conducted for American
Chemistry Council (Higher Olefins Panel) (unpublished report).

Hoberg, J.R. (2003) C6 Hexene – Toxicity to the freshwater green alga,


Pseudokirchneriella subcapitata, Study No. 13761.6113, Springborn Smithers
Laboratories, Wareham, Massachusetts, conducted for American Chemistry Council
(Higher Olefins Panel) (unpublished report).

Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M. Meylan, A.E. Hueber, J.A.
Beauman and M.E. Larosche (1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem.
11:593-603.

172 UNEP PUBLICATIONS


OECD SIDS HEXENE
6. REFERENCES ID: 25264-93-1
DATE: 28.04.2005

Huntingdon Life Sciences Ltd. (1996) SHOP Internal Olefin: Delayed


hypersensitivity study in theGuinea Pig (Magnusson Kligman Method), Performed
for Shell Chemical Co. (unpublished report).

Huntingdon Research Center (1990) 1-Hexene in Vitro Mammalian Cell Gene


Mutation Assay (TK+/-). Sponsored by Ethyl (unpublished report).

Huntingdon Research Center (1990) 1-Hexene: Bacterial Mutation Assay.


Sponsored by Ethyl (unpublished report).

Huntingdon Research Center (1990) 1-Hexene: Metaphase Chromosome Analysis of


Human Lymphocytes Cultured in Vitro. Sponsored by Ethyl (unpublished report).

Huntington Life Sciences Ltd, (1996) SHOP C68 Internal Olefins: Skin Irritation
in the Rabbit; Performed for Shell Chemical Co. (unpublished report).

Huntington Life Sciences Ltd, (1996) SHOP C68 Internal Olefins: Eye Irritation
in the Rabbit; Performed for Shell Chemical Co. (unpublished report).

Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using


Multivariate Statistical Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E. Poling, Eds.

Jordan, T.E. (1954) Vapor Pressure of Organic Compounds. New York, NY,
Interscience Publisher, Inc.; EPIWIN (2000a,b) Estimation Program Interface for
Windows, version 3.10. Syracuse Research Corporation, Syracuse, NY. USA.

Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry and Physics. 79th ed. Boca
Raton, FL: CRC Press Inc., p. 3-193.

Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds. (1990) Handbook of Chemical
Property Estimation. Chapter 14. Washington, D.C.: American Chemical Society.

MB Research Laboratories, Inc. (1978) Alkenes, C6-8, C7 Rich: Acute Dermal


Toxicity in Albino Rabbits (unpublished report).

Meylan, W. and P. Howard (1995) Atom/fragment contribution method for estimating


octanol-water partition coefficients. J. Pharm. Sci. 84:83-92.

Meylan, W., P. Howard and R. Boethling (1996) Improved method for estimating
water solubility from octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.

Meylan, W., P.H. Howard and R.S. Boethling (1992) Molecular topology/fragment
contribution method for predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7.

Meylan, W.M. and Howard, P.H. 1993. Computer estimation of the atmospheric
gas-phase reaction rate of organic compounds with hydroxyl radicals and ozone.
Chemosphere 26: 2293-99

Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved method for estimating


bioconcentration / bioaccumulation factor from octanol/water partition
coefficient. Environ. Toxicol. Chem. 18(4): 664-672

Neely and Blau (1985) Environmental Exposure from Chemicals, Volume 1, p. 31,
CRC Press.

UNEP PUBLICATIONS 173


OECD SIDS HEXENE
6. REFERENCES ID: 25264-93-1
DATE: 28.04.2005
Neely, W. B. 1985. Hydrolysis. In: W. B. Neely and G. E. Blau, eds.
Environmental Exposure from Chemicals. Vol I., pp. 157-173. CRC Press, Boca
Raton, FL, USA.

NLM (2003). TRI (Toxic Release Inventory). U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September 2003 (http://toxnet.nlm.nih.gov).

Rinehart, W.E. (1967) Toxicological Studies on Several Alpha Olefins.


University of Pittsburgh, submitted to Gulf Research and Development Co.
(unpublished report).

Shell (1985) Toxicology of Shop Olefin: The Skin Irritancy of Shop Alpha
Olefin C6; C18; and Shop Olefins 103, SBGR 85.166 (unpublished report).

Shell Chemicals UK Ltd. Chester (cited in IUCLID)

Shell Chemicals UK Ltd. MSDS, Chester

Shell Development Company (1982) Acute Oral Toxicity of NEODENE 6 Alpha Olefin
in the Rat, WTP-120 (unpublished report).

Shell Development Company (1982) Eye Irritation of NEODENE 6 Alpha Olefin in


the Rabbit, WTP-122 (unpublished report).

Shell Development Company (1982) Guinea Pig Skin Sensitization of NEODENE 6


Alpha Olefin, WTP-123 (unpublished report).

Shell Development Company (1982) Primary Skin Irritation of NEODENE 6 Alpha


Olefin in the Rabbit, WTP-121 (unpublished report).

Shell Development Company (1982) Acute Dermal Toxicity of NEODENE 6 Alpha Olefin
in the Rabbit, WTP-124 (unpublished report).

Shell Development Company (1983) In Vitro Chromosome Aberration Assay in


Chinese Hamster Cells of NEODENE 6 Alpha Olefin, WTP-126 (unpublished
report).

Shell Development Company (1984) In vitro Destruction of Hepatic Cytochrome


P-450 and Heme by NEODENE 6 Alpha Olefin, WRC-814, (unpublished report).

Shell Research Limited (1985) Shop C6 Linear Alpha Olefins (1-Hexene); Acute
Toxicity (Salmo gairdneri, Daphnia magna and Selenastrum capricornutum) and
N-Octanol/Water Partition Coefficient, SBGR.85.026 (unpublished report).

Shell Research Limited (1985) Shop C6 Alpha Olefins: An Assessment of Ready


Biodegradability, Document SBGR.85.111 (unpublished report).

Shell Research Limited (1991) 1-Hexene: Acute Toxicity to Oncorhynchus mykiss,


SBGR.91.252 (unpublished report).

Stein, S. and R. Brown (1994) Estimation of normal boiling points from group
contributions (1994) J. Chem. Inf. Comput. Sci. 34: 581-587.

Thorsrud, B.A. (2003) A combined repeated dose toxicity study and


reproduction/developmental screening study in Sprague Dawley rats with (C6)
alkenes, Study No. 3604.2, Springborn Laboratories, Inc., Ohio Research Center,
Spencerville, Ohio; conducted for American Chemistry Council (Higher Olefins
Panel) (unpublished report).

174 UNEP PUBLICATIONS


OECD SIDS HEXENE
6. REFERENCES ID: 25264-93-1
DATE: 28.04.2005
Trent University (2004). Level I Fugacity-based Environmental Equilibrium
Partitioning Model (Version 3.00) and Level III Fugacity-based Multimedia
Environmental Model (Version 2.80.1). Environmental Modeling Centre, Trent
University, Peterborough, Ontario. (Available at http://www.trentu.ca/cemc)

Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and H. Loonen (2000)


Predicting ready biodegradability in the MITI Test. Environ. Toxicol. Chem.
(accepted for publication)

Verschueren, K. (1983) Handbook of Environmental Data on Organic Chemicals, 2nd


ed., Van Nostrand Reinhold Company, New York, NY.

Warne, M. St. J. Connell, D.W., Hawker, D. W., and G. Schuurmann (1989)


Quantitative Structure-Activity Relationships for the Toxicity of Selected Shale
Oil Components to Mixed Marine Bacteria. Ecotoxicology and Environmental
Safety, 17: 133-148.

Zepp, R. G. and D. M. Cline (1977). Rates of Direct Photolysis in the Aqueous


Environment, Environ. Sci. Technol., 11:359-366.

UNEP PUBLICATIONS 175


OECD SIDS HEPTENE

SIDS DOSSIER
ON THE HPV CHEMICAL

HEPTENE

CAS No.: 25339-56-4

Contains Robust Summaries for the Following Substances:


CAS No. 25339-56-4, Heptene
CAS No. 592-76-7, 1-Heptene
CAS No. 68526-53-4; Alkenes, C6-8, C7-rich
CAS No. 68526-54-5; Alkenes, C7-9, C8-Rich
C6-C8 Internal Olefins

Sponsor Country: USA

Date of submission to OECD: April 28, 2005

176 UNEP PUBLICATIONS


OECD SIDS HEPTENE
1. GENERAL INFORMATION ID: 25339-56-4
DATE: 28.04.2005
1.01 Substance Information

A. CAS Number: 25339-56-4

B. Name (OECD): Heptene

C. Name (IUPAC): Heptene

D. CAS Descriptor: Not applicable

E. EINECS Number: 246-871-2

F. Molecular Formula: C7 H14

G. Structural Formula: Various linear or branched isomers with internal


double bonds with the basic structure of CH3-CH=CH-
(CH2)3-CH3

Sponsor Country: United States of America

Lead Organisation:

Name of Lead Organisation: United States of America Environmental


Protection Agency
Contact person: Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
Address:
• Street: 1200 Pennsylvania Avenue, NW
• Postal code: 20460
• Town: Washington, D.C. 20460
• Country: United States of America
• Tel: (202) 564-7461

Name of Responder (Industry Consortium):

Name: American Chemistry Council (Higher Olefins


Panel)
Contact: Mr. W. D. Anderson, Higher Olefins Panel
Manager
Address:
• Street: 1300 Wilson Boulevard
• Postal code: 22209
• Town: Arlington, VA
• Country: United States of America
• Tel: (703)741-5616
• Fax: (703) 741-6091

1.02 Details on Chemical Category

This profile includes an evaluation of SIDS-level testing data, using a category


approach, with six individual internal olefins (C6 – C10 and C12), a C10 – 13
internal olefins blend and two linear alpha olefins (1-hexadecene and 1-
octadecene), all of which are monoolefins. The internal olefins are
predominantly linear, but may contain small amounts of branched materials. For
the purposes of the ICCA HPV Program, the category was defined as “Higher

UNEP PUBLICATIONS 177


OECD SIDS HEPTENE
1. GENERAL INFORMATION ID: 25339-56-4
DATE: 28.04.2005
Olefins.” The category designation was based on the belief that, within the C6
to C18 boundaries identified, internalizing the location of the carbon-carbon
double bond, increasing the length of the carbon chain, and/or changing the
carbon skeleton’s structure from linear to branched does not change the toxicity
profile, or changes the profile in a consistent pattern from lower to higher
carbon numbers. This expectation is supported by a large amount of existing data
for alpha and internal olefins with carbon numbers ranging from C6 to C24. The
members of the category are:

Hexene CAS 25264-93-1

Heptene CAS 25339-56-4

Octene CAS 25377-83-7

Nonene CAS 27215-95-8

Decene CAS 25339-53-1

Dodecene CAS 25378-22-7

Alkenes, C10-C13 CAS 85535-87-1

1-Hexadecene CAS 629-73-2

1-Octadecene CAS 112-88-9

1.1 General Substance Information

A. Type of Substance

Element [ ]; Inorganic [ ]; Natural substance [ ]; Organic [X ];


Organometallic [ ];
Petroleum product [ ]

B. Physical State (at 20°C and 1.013 hPa)

Gaseous [ ]; Liquid [X ]; Solid [ ]

C. Purity:

Remark: This substance is manufactured and marketed as a component of


a C6-C8 Olefins distillation cut. Synonyms: C68 Olefins,
SHOP C68-Internal Olefins
C6-C8 Internal Olefins, I C6-C8. The C6-C8 internal
olefin blend has been reported as comprising 1.9% C5, 43.3% C6,
21.7% C7, 31.7% C8, 1.4% C9.

Remark: This substance is a component of a manufacturing byproduct


mixture

1.2 Impurities

No data

1.3 Additives

None

178 UNEP PUBLICATIONS


OECD SIDS HEPTENE
1. GENERAL INFORMATION ID: 25339-56-4
DATE: 28.04.2005

1.4 Synonyms

Some synonyms are: Heptene, Isomer(s)


Heptylene
Heptenes

1.5 Quantity

Remarks: U.S. production volume for heptene in 2002 was 50-100 million
pounds. This information was provided by the members of the American
Chemistry Council’s Higher Olefins Panel.

Reference: American Chemistry Council’s Higher Olefins Panel (2002)

1.6 Use Pattern

A. General Use Pattern

Type of Use: Category:

(a) Main Use in closed systems


Industrial Chemical industry – chemicals used in
synthesis
Use Intermediate

Remarks: Intermediate in the manufacture of low


molecular weight fatty acids, mercaptans,
plasticizer alcohols, surfactants

(b) Main Non-dispersive use


Industrial Chemical industry – chemicals used in
synthesis
Use Intermediate

Remarks: Intermediate in the manufacture of low


molecular weight fatty acids, mercaptans,
plasticizer alcohols, surfactants

(c) Main Use in closed systems


Industrial Polymers industry
Use Intermediate

Reference: American Chemistry Council’s Higher Olefins Panel (2002)

B. Uses In Consumer Products

Not applicable

1.7 Sources of Exposure

Source:

Remarks: This product is produced commercially in closed systems and is used


primarily as an intermediate in the production of other chemicals
(including polymers). No non-intermediate applications have been
identified. Any occupational exposures that do occur are most likely
by the inhalation and dermal routes. It is a common practice to use

UNEP PUBLICATIONS 179


OECD SIDS HEPTENE
1. GENERAL INFORMATION ID: 25339-56-4
DATE: 28.04.2005
personal protective equipment. In the case of dermal exposures,
protective gloves would be worn due to the mildly irritating
properties of this class of chemicals (ACC Higher Olefins Panel).
Results from modelled data suggest that on-site waste treatment
processes are expected to remove this substance from aqueous waste
streams to the extent that it will not be readily detectable in
effluent discharge (EPIWIN, 2000). This substance is not on the US
Toxic Release Inventory (TRI) list (NLM, 2003). This olefin will not
persist in the environment because it can be rapidly degraded
through biotic and abiotic processes.

Reference: American Chemistry Council’s Higher Olefins Panel (2002)

1.8 Additional Information

A. Classification and Labelling

Classification

Type: as in Directive 67/548/EEC


Category of danger: Highly Flammable, Harmful
R-phrases: (11) Highly flammable
(65) Harmful: may cause lung damage if swallowed

Labelling

Type: as in Directive 67/548/EEC


Specific limits: no
Symbols: F Xn
Nota:
R-phrases: (11) Highly flammable
(65) Harmful: may cause lung damage if swallowed

S-phrases: (9) Keep container in a well ventilated place


(16) Keep away from sources of ignition – No smoking
(33) Take precautionary measures against static
discharges
(S62) If swallowed, do not induce vomiting: seek medical
advice immediately and show this container or label

B. Occupational Exposure Limits

Exposure Limit Value

Type: None established


Value:

Short Term Exposure Limit Value

Value: None established


Length of
Exposure period:
Frequency:

C. OPTIONS FOR DISPOSAL

180 UNEP PUBLICATIONS


OECD SIDS HEPTENE
1. GENERAL INFORMATION ID: 25339-56-4
DATE: 28.04.2005
Remarks: Incineration, diversion to other hydrocarbon uses

D. Last Literature Search

Type of search: Internal and external


Date of search: October 2003
Remark: Medline
IUCLID
TSCATS
ChemIDplus
AQUIRE - ECOTOX

E. OTHER REMARKS

UNEP PUBLICATIONS 181


OECD SIDS HEPTENE
2. PHYSICO-CHEMICAL PROPERTIES ID: 25339-56-4
DATE: 28.04.2005
2.1 Melting Point

A. Test Substance

Identity: CAS No. 25339-56-4, Heptene

Method

Method/
guideline followed: Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.11
GLP: Not applicable
Year: Not applicable

Test Conditions: Melting Point is calculated by the MPBPWIN subroutine,


which is based on the average results of the methods of
K. Joback, and Gold and Ogle, and chemical structure.
Joback's Method is described in Joback, (1982). The Gold
and Ogle Method simply uses the formula Tm = 0.5839Tb,
where Tm is the melting point in Kelvin and Tb is the
boiling point in Kelvin. EPIWIN program used the
structure for 1-heptene.

Results

Melting point
value in °C: -82.42°C

Reliability: (2) Reliable with restrictions. The result is


calculated data based on chemical structure as modeled
by EPIWIN

Flag: Key study for SIDS endpoint

References: Joback, K.G. 1982. A Unified Approach to Physical


Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.

EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. TEST SUBSTANCE

Identity: C6-C8 Internal Olefins

Method

Method/guideline followed: ASTM D2386


GLP: No data
Year: No data

Test Conditions: No data

Results

182 UNEP PUBLICATIONS


OECD SIDS HEPTENE
2. PHYSICO-CHEMICAL PROPERTIES ID: 25339-56-4
DATE: 28.04.2005

Melting point value in °C: -50°C

Reliability: (4) Not assignable. These data were not reviewed


for quality.

References: Shell Chemicals UK Ltd. Chester (cited in IUCLID)

C. Test Substance

Identity: CAS No. 592-76-7, 1-Heptene

Method

Method/
guideline followed: No data
GLP: No data
Year: No data

Test Conditions: No data

Results

Melting point
value in °C: -119.7°C

Reliability: (2) Reliable with restrictions. The result is an


experimental value in the EPIWIN database and in a
secondary source (Lide, 1998-1999), and data were not
reviewed for quality.

Flag: Key study for SIDS endpoint

References: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry


and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., p.
3-181.

2.2 Boiling Point

A. Test Substance

Identity: CAS No. 25339-56-4, Heptene

Method

Method/
guideline followed: Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.11
GLP: Not applicable
Year: Not applicable

Test Conditions: Boiling Point is calculated by the MPBPWIN subroutine,


which is based on the method of Stein and Brown (1994).
EPIWIN program used the structure for 1-heptene.

UNEP PUBLICATIONS 183


OECD SIDS HEPTENE
2. PHYSICO-CHEMICAL PROPERTIES ID: 25339-56-4
DATE: 28.04.2005

Results
Boiling point
value in °C: 94.35°C
Pressure: 1013
Pressure unit: hPa

Reliability: (2) Reliable with restrictions. The result is


calculated data based on chemical structure as modeled
by EPIWIN

Flag: Key study for SIDS endpoint

References: Stein, S. and R. Brown (1994) Estimation of normal


boiling points from group contributions (1994) J. Chem.
Inf. Comput. Sci. 34: 581-587.
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Test Substance

Identity: C6-C8 Internal Olefins

Method
Method: ASTM D68
GLP: No data
Year: No data

Test Conditions: No data

Results

Boiling point value: 74-120°C


Pressure: No data
Remarks: Upper value is for 90% distilled.

Reliability: (4) Not assignable. These data were not reviewed


for quality.

References: Shell Chemicals UK Ltd. Chester

C. TEST SUBSTANCE

Identity: CAS No. 592-76-7, 1-Heptene

Method

Method/guideline followed: No data


GLP: No data
Year: No data

Test Conditions: No data

184 UNEP PUBLICATIONS


OECD SIDS HEPTENE
2. PHYSICO-CHEMICAL PROPERTIES ID: 25339-56-4
DATE: 28.04.2005
Results

Boiling point value: 93.6°C


pressure: 1013
Pressure unit: hPa

Reliability: (2) Reliable with restrictions. Result is an


experimental value in the EPIWIN database and in
another secondary source (Lide, 1998-1999) .These
data were not reviewed for quality.

Flag: Key study for SIDS endpoint

References: EPIWIN (2000). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

Lide, D.R. (ed.) (1998-1999) CRC Handbook of


Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-181.

2.3 Density

A. Test Substance

Identity: C6-C8 Internal Olefins

Method

Method: ISO 3675


GLP: No data

Test Conditions: No data

Results

Type: density
Value: ca. 700 kg/m3
Temperature (°C): 20°C

Reliability: (2) Reliable with restrictions. These data were from a


reliable source but were not reviewed for quality.

Reference: Shell Chemicals UK Ltd. Chester

2.4 Vapour Pressure

A. Test Substance

Identity: CAS No. 592-76-7, 1-Heptene

Method

Method/
guideline followed: Not reported
GLP: Not applicable
Year:

UNEP PUBLICATIONS 185


OECD SIDS HEPTENE
2. PHYSICO-CHEMICAL PROPERTIES ID: 25339-56-4
DATE: 28.04.2005
Test Conditions:

Results
Vapor Pressure
Value: 79.05 hPa
Temperature: 25°C
Remarks: Reported as 59.3 mm Hg (25°C)

Reliability: (2) Reliable with restrictions. The result is measured


data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

References: Daubert, T.E. and R.P. Danner (1989) Physical and


Thermodynamic Properties of Pure Chemicals: Data
Compilation; Design Institute for Physical Property
Data, American Institute of Chemical Engineers.
Hemisphere Pub. Corp., New York, NY

EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 25339-56-4, Heptene

Method

Method/
guideline followed: Calculated value using the computer program
EPIWIN, MPBPWIN v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Vapor Pressure is calculated by the MPBPWIN subroutine,


which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985. Used experimental
value for BP of 93.6 °C from EPIWIN database

Results

Vapor Pressure
value: 74.66 hPa
Temperature (°C ): 25°C
Remarks: Reported as 56 mm Hg

Reliability: (2) Reliable with restrictions. The result is


calculated data as modeled by EPIWIN and measured data
as cited in the EPIWIN database. These data were not
reviewed for quality.

Flag: Key study for SIDS endpoint

186 UNEP PUBLICATIONS


OECD SIDS HEPTENE
2. PHYSICO-CHEMICAL PROPERTIES ID: 25339-56-4
DATE: 28.04.2005
References: Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.
(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.

Neely and Blau (1985) Environmental Exposure from


Chemicals, Volume 1, p. 31, CRC Press.

EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

2.5 Partition Coefficient (log10Kow)

A. TEST SUBSTANCE

Identity: C6-C8 Internal Olefins

Method

Method: No data
GLP: No data
Year: No data

Test Conditions: No data

Results

Log Kow: 3.4 – 4.6

Reliability: (4) Not assignable. Limited information was available


and these data were not reviewed for quality.

References: Shell Chemicals UK Ltd. Chester

B. Test Substance

Identity: CAS No. 25339-56-4, Heptene

Method

Method: Calculated value using the computer program


EPIWIN, KOWWIN v 1.67
GLP: Not applicable
Year: Not applicable

Test Conditions: Octanol / Water Partition Coefficient is calculated by


the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). Experimental Log Kow value of 3.99 for 1-heptene
from EPIWIN database used for calculation. Program used
structure for 1-heptene.

Results

Log Kow: 3.64

UNEP PUBLICATIONS 187


OECD SIDS HEPTENE
2. PHYSICO-CHEMICAL PROPERTIES ID: 25339-56-4
DATE: 28.04.2005
Temperature (°C ): Not applicable

Reliability: (2) Reliable with restrictions. The result was


calculated based on chemical structure as modeled by
EPIWIN.

Flag: Key study for SIDS endpoint

Reference: Meylan, W. and P. Howard (1995) Atom/fragment


contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

C. Test Substance

Identity: CAS No. 592-76-7, 1-Heptene

Method

Method: No data
GLP: No data
Year: No data

Test Conditions: No data

Results

Log Kow: 3.99


Temperature (°C ): No data

Reliability: (2) Reliable with restrictions. The result is an


experimental value in the EPIWIN database and the data
were not reviewed for quality.

Flag: Key study for SIDS endpoint

Reference: Hansch. C., A. Leo and D. Hoekman. 1995. Exploring


QSAR. Hydrophobic, Electronic, and Steric Constants.
ACS Professional Reference Book. Washington, DC:
American Chemical Society.
Meylan, W. and P. Howard (1995) Atom/fragment
contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

2.6.1 Water Solubility (including *Dissociation Constant).

A. Test Substance

Identity: CAS No. 25339-56-4, Heptene

188 UNEP PUBLICATIONS


OECD SIDS HEPTENE
2. PHYSICO-CHEMICAL PROPERTIES ID: 25339-56-4
DATE: 28.04.2005
Method

Method/
guideline followed: Calculated value using the computer program
EPIWIN, WSKOW v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Water Solubility is calculated by the WSKOW subroutine,


which is based on a Kow correlation method described by
Meylan et al., 1996. The calculation used an
experimental Log Kow of 3.99, from the EPIWIN database.

Results

Value(mg/L) at
temperature ( °C): 13.45 mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result was


calculated by EPIWIN using experimental data from the
EPIWIN database. These data were not reviewed for
quality.

Flag: Key study for SIDS endpoint

References: Meylan, W., P. Howard and R. Boethling (1996) Improved


method for estimating water solubility from
octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.

EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 592-76-7, 1-Heptene

Method

Method/
guideline followed: No data
GLP: No data
Year:

Test Conditions: No data

Results

Value (mg/L)
at temperature (°C): 18.2 mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result as cited in


the EPIWIN database. These data were not reviewed for
quality.

Flag: Key study for SIDS endpoint

UNEP PUBLICATIONS 189


OECD SIDS HEPTENE
2. PHYSICO-CHEMICAL PROPERTIES ID: 25339-56-4
DATE: 28.04.2005
References: Yalkowsky, S.H. and R.M. Dannenfelser (1992) AQUASOL
dATAbASE of Aqueous Solubility. Fifth ed. Tucson, AZ,
University of Arizona, College of Pharmacy

EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

C. Test Substance

Identity: CAS No. 25339-56-4, Heptene

Method

Method/
guideline followed: Calculated value using the computer program
EPIWIN, WATERNT v 1.01
GLP: Not applicable
Year: Not applicable

Test Conditions: The calculation was based on chemical structure as


modeled by EPIWIN.

Results

Value(mg/L) at
temperature ( °C): 11.913 mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result was


calculated based on chemical structure as modeled by
EPIWIN.

References: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

2.6.2 Surface tension

No data available

2.7 Flash Point (Liquids)

Test Substance

Identity: C6-C8 Internal Olefins

Method

Method: ISO 2719


GLP:

Test Conditions: No data

Results

Value (°C): -26 °C


Type of test: Closed cup

190 UNEP PUBLICATIONS


OECD SIDS HEPTENE
2. PHYSICO-CHEMICAL PROPERTIES ID: 25339-56-4
DATE: 28.04.2005

Reliability: (4) Not assignable. These data were not reviewed for quality.

Reference: Shell Chemicals UK Ltd. Chester (cited in IUCLID)

2.8 Auto Flammability (Solids/Gases)

No data available

2.9 Flammability

Test Substance

Identity: C6-C8 Internal Olefins

Method

Method: No data
GLP: No data

Test Conditions: No data

Result: Highly flammable

Lower flammability limit: 0.8% in air


Upper flammability limit: 6.8% in air

Reliability: (2) Reliable with restrictions. Data were from a reliable


source but were not evaluated for quality.

Reference: Shell Chemical Company MSDS

2.10 Explosive Properties

No data available

2.11 Oxidising Properties

No data available

2.12 Oxidation-Reduction Potential

No data available

2.13 Additional Information

UNEP PUBLICATIONS 191


OECD SIDS HEPTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-56-4
DATE: 28.04.2005
3.1 Stability

A. Photodegradation

(1) Test Substance

Identity: CAS No. 25339-56-4, Heptene

Method

Method/
guideline followed: Other: Technical discussion

Type: water
GLP: Not applicable
Year: Not applicable

Test Conditions: Not applicable

Results

Direct photolysis: In the environment, direct photolysis will


not significantly contribute to the degradation of
constituent chemicals in the Higher Olefins
Category.

Remarks: The direct photolysis of an organic molecule


occurs when it absorbs sufficient light energy to
result in a structural transformation (Harris,
1982a). The reaction process is initiated when
light energy in a specific wavelength range
elevates a molecule to an electronically excited
state. However, the excited state is competitive
with various deactivation processes that can
result in the return of the molecule to a non
excited state.

The absorption of light in the ultra violet (UV)-


visible range, 110-750 nm, can result in the
electronic excitation of an organic molecule.
Light in this range contains energy of the same
order of magnitude as covalent bond dissociation
energies (Harris, 1982a). Higher wavelengths (e.g.
infrared) result only in vibrational and
rotational transitions, which do not tend to
produce structural changes to a molecule.

The stratospheric ozone layer prevents UV light of


less than 290 nm from reaching the earth's
surface. Therefore, only light at wavelengths
between 290 and 750 nm can result in photochemical
transformations in the environment (Harris,
1982a). Although the absorption of UV light in the
290-750 nm range is necessary, it is not always
sufficient for a chemical to undergo photochemical
degradation. Energy may be re-emitted from an
excited molecule by mechanisms other than chemical
transformation, resulting in no change to the
parent molecule.

192 UNEP PUBLICATIONS


OECD SIDS HEPTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-56-4
DATE: 28.04.2005
A conservative approach to estimating a
photochemical degradation rate is to assume that
degradation will occur in proportion to the amount
of light wavelengths >290 nm absorbed by the
molecule (Zepp and Cline, 1977).

Olefins with one double bond, such as the


chemicals in the Higher Olefins category, do not
absorb appreciable light energy above 290 nm. The
absorption of UV light to cause cis-trans
isomerization about the double bond of an olefin
occurs only if it is in conjugation with an
aromatic ring (Harris, 1982a).

Products in the Higher Olefins Category do not


contain component molecules that will undergo
direct photolysis. Therefore, this fate process
will not contribute to a measurable degradative
removal of chemical components in this category
from the environment.

Reliability: Not applicable

References: Harris J C (1982a). Rate of Aqueous Photolysis.


Chapter 8 in: W. J. Lyman, W. F. Reehl, and D. H.
Rosenblatt, eds., Handbook of Chemical Property
Estimation Methods, McGraw-Hill Book Company, New
York, USA.

Zepp, R. G. and D. M. Cline (1977). Rates of


Direct Photolysis in the Aqueous Environment,
Environ. Sci. Technol., 11:359-366.

(2) Test Substance

Identity: CAS No. 25339-56-4, Heptene

Method

Method/
guideline followed: Calculated values using AOPWIN version 1.91,
a subroutine of the computer program EIPWIN
version 3.11. Program used structure for 1-
heptene.
Type: air
GLP: Not applicable
Year: Not applicable

Results

Indirect photolysis

Sensitiser (type): OH
Rate Constant: 31.5910 E-12 cm3/molecule-sec
Degradation % after: 50% after 4.063 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3)

Sensitiser (type): Ozone


Rate Constant: 1.2 E-17 cm3/molecule-sec

UNEP PUBLICATIONS 193


OECD SIDS HEPTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-56-4
DATE: 28.04.2005
Degradation % after: 50% after 22.920 hrs (using avg. ozone conc.
of 7 E11 mol/cm3)

Reliability: (2) Reliable with restrictions. The value was


calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.

Flag: Critical study for SIDS endpoint

References: EPIWIN (2000). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

(3) Test Substance

Identity: CAS No. 592-76-7, 1-Heptene

Method

Method/
guideline followed: Measured value cited in the experimental
database of the computer program EIPWIN version
3.11
Type: air
GLP: No data
Year: No data

Results

Indirect photolysis

Sensitiser (type): OH
Rate Constant: 40.5 E-12 cm3/molecule-sec
Sensitiser (type): Ozone
Rate Constant: 1.73 E-17 cm3/molecule-sec

Reliability: (2) Reliable with restrictions. The value is from


the experimental database in EPIWIN and data were
not evaluated for quality.

References: Atkinson, R (1989); EPIWIN (2000). Estimation


Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection
Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Stability in Water

Test Substance

Identity: CAS No. 25339-56-4, Heptene

Method

Method/
guideline followed: Other – Technical Discussion

194 UNEP PUBLICATIONS


OECD SIDS HEPTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-56-4
DATE: 28.04.2005

Test Conditions: Not applicable

Results: Not applicable

Remarks: Hydrolysis of an organic molecule occurs when a molecule


(R-X) reacts with water (H2O) to form a new carbon-
oxygen bond after the carbon-X bond is cleaved (Gould,
1959; Harris, 1982b). Mechanistically, this reaction is
referred to as a nucleophilic substitution reaction,
where X is the leaving group being replaced by the
incoming nucleophilic oxygen from the water molecule.

The leaving group, X, must be a molecule other than


carbon because for hydrolysis to occur, the R-X bond
cannot be a carbon-carbon bond. The carbon atom lacks
sufficient electronegativity to be a good leaving group
and carbon-carbon bonds are too stable (high bond
energy) to be cleaved by nucleophilic substitution.
Thus, hydrocarbons, including alkenes, are not subject
to hydrolysis (Harris, 1982b) and this fate process will
not contribute to the degradative loss of chemical
components in this category from the environment.

Under strongly acidic conditions the carbon-carbon


double bond found in alkenes, such as those in the
Higher Olefins Category, will react with water by an
addition reaction mechanism (Gould, 1959). The reaction
product is an alcohol. This reaction is not considered
to be hydrolysis because the carbon-carbon linkage is
not cleaved and because the reaction is freely
reversible (Harris, 1982b). Substances that have a
potential to hydrolyze include alkyl halides, amides,
carbamates, carboxylic acid esters and lactones,
epoxides, phosphate esters, and sulfonic acid esters
(Neely, 1985).

The substances in the Higher Olefins Category are


primarily olefins that contain at least one double bond
(alkenes). The remaining chemicals are saturated
hydrocarbons (alkanes). These two groups of chemicals
contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic
mechanism discussed above. Therefore, chemicals in the
Higher Olefins Category have a very low potential to
hydrolyze, and this degradative process will not
contribute to their removal in the environment.

Conclusions: In the environment, hydrolysis will not contribute to


the degradation of heptene

Reliability: Not applicable

References: Gould, E.S. (1959) Mechanism and Structure in Organic


Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.

Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in:


W.J. Lyman, W.F. Reehl, and D.H. Rosenblatt, eds.,
Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.

UNEP PUBLICATIONS 195


OECD SIDS HEPTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-56-4
DATE: 28.04.2005

Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G.


E. Blau, eds. Environmental Exposure from Chemicals. Vol
I., pp. 157-173. CRC Press, Boca Raton, FL, USA.

C. Stability In Soil

No data available

3.2 Monitoring Data (Environment)

No data available.

3.3 Transport and Distribution

3.3.1 Transport between environmental compartments

A. Test Substance

Identity: CAS No. 25339-56-4, Heptene

Method

Type: Fugacity models, Mackay Levels I and III

Remarks: Trent University model used for calculations. Half-lives in


water, soil and sediment estimated using EPIWIN (EPIWIN, 2000)

Chemical assumptions:

Molecular weight: 98
Water solubility: 13.5 g/m3
Vapor pressure: 7466 Pa (25°C)
Log Kow: 3.99
Melting point: -82.42°C
Environment name: EQC Standard Environment

Half-life in air = 4.5 hr, half-life in water = 208 hr, half-


life in soil = 208 hr, half-life in sediment = 832 hr

All other parameters were default values. Level I emissions =


1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).

Results Media: Air, soil, water and sediment concentrations were


estimated

Level I Level III


Air 100% 7.7%
Water <1% 79.5%
Soil <1% 11%
Sediment <1% 1.6%

Remarks: Since default assumptions for release estimates were used,


resulting environmental concentrations are not provided.

196 UNEP PUBLICATIONS


OECD SIDS HEPTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-56-4
DATE: 28.04.2005
Conclusions: These results indicated that heptene will partition
primarily to air under equilibrium conditions (Level I model),
but primarily to water under the assumed pattern of chemical
release (equal loading of water, soil and air) in the Level
III model.

Reliability: (2) Valid with restrictions: Input data are calculated.

Flag: Critical study for SIDS endpoint

References: Trent University (2004). Level I Fugacity-based Environmental


Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version 2.80.1.
Environmental Modeling Centre, Trent University, Peterborough,
Ontario. (Available at http://www.trentu.ca/cemc)

EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.

B. Test Substance

Identity: CAS No. 25339-56-4, Heptene

Method

Type: Volatilization from water

Remarks: Calculated using the computer program EPIWIN version


3.11; based on
Henry’s Law Constant of 0.421 atm-m3/mole (HENRY
experimental database) and EPIWIN default values

Results: Half-life from a model river: 1.013 hrs


Half-life from a model lake: 3.9 days

Reliability: (2) Valid with restrictions. Values are


calculated.

References: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

3.3.2 Distribution

A. Test Substance

Identity: CAS No. 25339-56-4, Heptene

Method

Method: Adsorption Coefficient (Koc) calculated value using the


computer program EPIWIN, PCKOC v 1.66, using the method
described by Meylan et al., 1992.

Test Conditions: Based on chemical structure; program used structure for


1-heptene

UNEP PUBLICATIONS 197


OECD SIDS HEPTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-56-4
DATE: 28.04.2005

Results

Value: Estimated Koc = 275

Reliability: (2) Reliable with restrictions. Value is calculated.

Reference: Meylan, W., P.H. Howard and R.S. Boethling (1992)


Molecular topology/fragment contribution method for
predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7

EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 25339-56-4, Heptene

Method

Method: Henry’s Law Constant calculated value using the computer


program EPIWIN, HENRY v 3.10

Test Conditions: Bond and Group estimates based on chemical structure, at


25°C; VP/water solubility estimates based on EPIWIN
values of VP = 56 mm Hg and WS = 13.4 mg/L. (program
used structure for 1-heptene)

Results

Value: Bond estimate = 0.476 atm-m3/mole


Group estimate = 0.756 atm-m3/mole
VP/Wsol estimate = 0.5379 atm-m3/mole

Reliability: (2) Reliable with restrictions. Values are calculated.

Reference: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

C. Test Substance

Identity: CAS No. 592-76-7, 1-Heptene

Method

Method: Henry’s Law Constant – experimental data from EPIWIN v.


3.11 database

Test Conditions: No data

Results

Value: 0.421 atm-m3/mole

198 UNEP PUBLICATIONS


OECD SIDS HEPTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-56-4
DATE: 28.04.2005
Reliability: (2) Reliable with restrictions. Result is from the
EPIWIN experimental database and data were not reviewed
for quality.

Reference: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

3.4 Aerobic Biodegradation

1. TEST SUBSTANCE

Identity: CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich

Method

Method/guideline: OECD 301F, Ready Biodegradability, Manometric


Respirometry Test

Type: Aerobic [X ] Anaerobic [ ]


GLP: Yes

Year: 1995

Contact time: 28 days


Inoculum: Domestic activated sludge

Test Conditions: Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride).

Test vessels were 1L glass flasks placed in a waterbath


and electronically monitored for oxygen consumption.

Test material was tested in triplicate, controls and


blanks were tested in duplicate. Test material loading
was approximately 32 mg/L. [Reason for using 32 mg/L
instead of 100 mg/L: Substances such as this test
material typically have ThODs between 2 and 3 mg per mg
substance. Thus, the test material concentration was
adjusted for a target of 100 mg THOD/L] Sodium benzoate
(positive control) concentration was approximately 44
mg/L. Test temperature was 22 +/- 1 Deg C.

All test vessels were stirred constantly for 28 days


using magnetic stir bars and plates.

Results: Approximately 29% biodegradation of the test material


was measured on day 28. Approximately 10% biodegradation
was achieved on day 17.

UNEP PUBLICATIONS 199


OECD SIDS HEPTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-56-4
DATE: 28.04.2005
By day 14, >60% biodegradation of the positive control
was measured, which meets the guideline requirement. No
excursions from the protocol were noted.

Biodegradation was based on oxygen consumption and the


theoretical oxygen demand of the test material as
calculated using results of an elemental analysis of the
test material.

% Degradation* Mean %
Degradation
Sample (day 28) (day 28)
Test Material 44.1, 28.6, 15.0 29.2
Na Benzoate 98.9, 95.5 97.2

* replicate data

Reliability: (2) Reliable with restrictions: The range in


biodegradation values is not less than 20% as required
in the OECD test guideline.

Flag: Key study for SIDS endpoint

Reference: Exxon Biomedical Sciences, Inc. (1997) Ready


Biodegradability: OECD 301F Manometric Respirometry.
Study #119194A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).

B. Test Substance

Identity: CAS No. 25339-56-4, Heptene

Method

Method/guideline: Estimated using the computer program EPIWIN v


3.10, BIOWIN v 4.01

Type: Aerobic

Test Conditions: Estimates use methods described by Howard et al., 1992;


Boethling et al., 1994; and Tunkel et al., 2000.
Estimates are based upon fragment constants that were
developed using multiple linear and non-linear
regression analyses.

Results: Linear model prediction: Biodegrades fast


Non-linear model prediction: Biodegrades fast
Ultimate biodegradation timeframe: Days-Weeks
Primary biodegradation timeframe: Days
MITI linear model prediction: Biodegrades fast
MITI non-linear model prediction: Biodegrades fast

Reliability: (2) Reliable with restriction: Results are


estimated

200 UNEP PUBLICATIONS


OECD SIDS HEPTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-56-4
DATE: 28.04.2005
Reference: Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J.
Beaumann and N. Tirado (1994) Group contribution method
for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.

Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M.


Meylan, A.E. Hueber, J.A. Beauman and M.E. Larosche
(1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data.
Environ. Toxicol. Chem. 11:593-603.

Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and


H. Loonen (2000) Predicting ready biodegradability in
the MITI Test. Environ. Toxicol. Chem. (accepted for
publication)

EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

3.6 BOD5, COD or ratio BOD5/COD

No data available

3.6 Bioaccumulation

Test Substance

Identity: CAS No. 25339-56-4, Heptene

Method

Method: BCF calculated value using the computer program EPIWIN, BCF v
2.15

Test Conditions: Based on chemical structure and Log Kow of 3.99 (EPIWIN
experimental database). Formula used to make BCF estimate: Log
BCF = 0.77 log Kow – 0.70 with no correction factor.

Results

Value: Estimated Log BCF = 2.372 (BCF = 235.7)

Reliability: (2) Reliable with restrictions. Values are calculated.

Reference: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.

3.7 Additional Information

Sewage Treatment

Test Substance

Identity: CAS No. 25339-56-4, Heptene

UNEP PUBLICATIONS 201


OECD SIDS HEPTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-56-4
DATE: 28.04.2005

Test Method: Calculated, EPIWIN STP Fugacity Model, predicted fate in a


wastewater treatment facility.
Input values: MW = 98.19; Henry’s LC = 0.421 atm-m3/mol; air-
water partition coefficient = 17.2176; Log Kow = 3.99; biomass
to water partition coefficient = 1955.27; temperature = 25°C
GLP: No
Test Medium: Secondary waste water treatment (water)
Test Type: Aerobic

Test Results: 99.47 % removed from wastewater treatment

Reference: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.

202 UNEP PUBLICATIONS


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005
4.1 Acute Toxicity to Fish

Test Substance

Identity: CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich

Method

Method/guideline: OECD 203


Test type: Semi-static Fish Acute Toxicity Test
GLP: Yes [X ] No [ ]
Year: 1995
Species/Strain: Rainbow Trout (Oncorhynchus mykiss)
Analytical Monitoring: Yes
Exposure period: 96 hours
Statistical methods: Trimmed Spearman-Karber Method (Hamilton, M.A. et al.
1977. Trimmed Spearman-Karber Method for Estimating Median
Lethal Concentration in Toxicity Bioassays. Environ. Sci.
Technol. 11:714-719.)

Test Conditions: Each test solution was prepared by adding the test substance,
via syringe, to 19.5 L of laboratory blend water in 20 L glass
carboys. The solutions were mixed for 24 hours with a vortex
of <10%. Mixing was performed using a magnetic stir plate and
Teflon coated stir bar at room temperature (approximately
22C). After mixing, the solutions were allowed to settle for
one hour after which the Water Accommodated Fraction (WAF) was
siphoned from the bottom of the mixing vessel through a siphon
that was placed in the carboy prior to adding the test
material. Test vessels were 4.0 L aspirator bottles that
contained approximately 4.5 L of test solution. Each vessel
was sealed with no headspace after 4 fish were added. Three
replicates of each test material loading were prepared.
Approximately 80% of each solution was renewed daily from a
freshly prepared WAF.

Test material loading levels included: 2.6, 4.3, 7.2, 12, and
20 mg/L, which measured 0.2, 0.4, 0.7, 1.2, and 2.5 mg/L,
respectively, and are based on the mean of samples taken from
the new and old test solutions. A control containing no test
material was included and the analytical results were below
the quantitation limit, which was 0.2 mg/L.

Water hardness was 174-178 mg/L as CaCO3. Test temperature was


15C (sd = 0.09). Lighting was 578 to 580 Lux with a 16-hr
light and 8-hr dark cycle. Dissolved oxygen ranged from 8.5
to 10.2 mg/L for "new" solutions and 6.5 to 8.5 mg/L for "old"
solutions. The pH ranged from 7.0 to 8.8 for "new" solutions
and 7.0 to 8.4 for "old" solutions.

Fish supplied by Thomas Fish Co. Anderson, CA, USA; age at


test initiation = approximately 5 weeks; mean wt. at test
termination = 0.272 g; mean total length at test termination =
3.5 cm; test loading = 0.24 g of fish/L. The fish were
slightly shorter than the guideline suggestion of 4.0 to 6.0
cm, which were purposely selected to help maintain oxygen
levels in the closed system. Fish size had no significant
effect on study outcome.

UNEP PUBLICATIONS 203


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005
Results: 96-hour LL50 = 8.9 mg/L (95% CI 9.9 to 13.3 mg/L) based upon
loading rates.
96-hour LC50 = 0.87 mg/L (95% CI 0.79 to 0.96 mg/L) based upon
measured values of old and new solutions.

Analytical method used was Headspace Gas Chromatography with


Flame Ionization Detection (GC-FID).

Loading Measured Fish Total


Rate (mg/L) Conc. (mg/L) Mortality (@96 hrs)*
Control Control 0
2.6 0.2 0
4.3 0.4 0
7.2 0.7 1
12 1.2 12
20 2.5 12

* 12 fish added at test initiation

Reliability: (1) Reliable without restriction

Flag: Key study for SIDS endpoint

References: Exxon Biomedical Sciences, Inc. (1996) Fish Acute Toxicity


Test. Study #119158. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).

4.2 Acute Toxicity to Aquatic Invertebrates (e.g. Daphnia)

No data available

4.3 Toxicity to Aquatic Plants (e.g. Algae)

No data available

4.4 Toxicity to Micro-organisms, e.g. Bacteria

No data available

4.5 Chronic Toxicity to Aquatic Organisms

A. Chronic Toxicity to Fish

Test Substance: CAS No. 25339-56-4, Heptene

Method/Guideline:

Type (test type): 30-day Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000)

Species: Fish

204 UNEP PUBLICATIONS


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005
Test Conditions: The program uses structure-activity relationships (SARs)
to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 3.64, which was estimated by EPIWIN using the
structure for 1-heptene.

Results:

Units/Value: Estimated 30-day ChV = 351 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Chronic Toxicity to Aquatic Invertebrates

Test Substance: CAS No. 25339-56-4, Heptene

Method/Guideline:

Type (test type): 16-day EC50 value calculated using the computer program
ECOSAR, version 0.99g included in the EPI Suite
software, v 3.11 (EPIWIN, 2000)

Species: Daphnia magna

Test Conditions: The program uses structure-activity relationships (SARs)


to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 3.64, which was estimated by EPIWIN using the
structure for 1-heptene.

Results:

Units/Value: Estimated 16-day EC50 = 264 µg/L

Flag: Key study for SIDS endpoint

UNEP PUBLICATIONS 205


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005
Reliability: (2) Reliable with restrictions. The result is
calculated data.

Reference: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

4.6 Toxicity to Terrestrial Organisms

A. Toxicity to Terrestrial Plants.

Test Substance: CAS No. 25339-56-4, Heptene

Method/Guideline:

Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000)

Species: Green algae

Test Conditions: The program uses structure-activity relationships (SARs)


to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 3.64, which was estimated by EPIWIN using the
structure for 1-heptene.

Results:

Units/Value: Estimated 96-hr ChV = 445 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Toxicity to Soil Dwelling Organisms.

No data available

C. Toxicity to Other Non Mammalian Terrestrial Species (including Avian)

No data available

206 UNEP PUBLICATIONS


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005

4.7 Biological EffectsMonitoring (including Biomagnification)

No data available

4.8 Biotransformation and Kinetics

No data available

UNEP PUBLICATIONS 207


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005
5.1 Toxicokinetics, Metabolism and Distribution

A. Test Substance: CAS No. 111-66-0, 1-Octene; CAS No. 14850-23-8, trans-
n-4-Octene;
CAS No. 816-79-5, 3-Ethyl-2-Pentene (tested
individually)

Method Non-standard
Test Type in-vitro
GLP No data
Year No data

Method: Homogenized rat liver was incubated with olefins and


metabolites were quantified using gas-liquid and thin
layer cochromatography. Various experiments were
conducted with and without NADPH and epoxide hydrolase
inhibitors.

Test Conditions: Livers of male Sprague-Dawley rats, weighing 180-200 g


were homogenized at 4°C in 2 volumes of isotonic KCl.
For all experiments, the aliquots were equivalent to 2 g
of liver. For quantification of metabolites, the
reaction mixture was extracted with ether, the ether
layer was removed and evaporated, the residue was
dissolved in acetone and aliquots were analyzed in a
model 5000 Barber-Colman gas chromatograph equipped with
an ionization detector. With each olefin, the identities
of the epoxide and glycol metabolites were checked by
both gas-liquid and thin layer cochromatography.

Enzymatic oxidation of olefins experiments: Mixtures of


10 µmoles of olefin dissolved in ethanol, NADPH-enriched
9000 x g supernatant of 2 g liver and standard cofactors
and phosphate buffer were incubated for 60 minutes at
37°C.

Effect of epoxide hydrolase inhibitor on metabolism of


n-1-octene: 10 µmoles olefin in ethanol added to the
incubation mixture described above. The medium contained
the NADPH-generating system and the epoxide hydrolase
inhibitor ( 2 x 10-2 M 4,5-epoxy-n-octane). Incubation
time was 30 min.

Effect of the epoxide metabolite 1,2-epoxy-n-octane on


the metabolism of n-4-octene: n-4-octene was incubated
with 20 mM 1,2-epoxy-n-octane under the conditions
described.

Results: In the presence of rat liver microsomes and NADPH, n-1-


octene, n-4-octene and 3-ethyl-2-pentene were converted
to the glycols with no trace of epoxide. The relative
yields of the glycols from 10 µmoles of the olefins
(11.3%, 4.0%, 0.12%) indicate that increasing
substitution of the ethylenic moiety by alkyl groups
decreases the rate of the reaction. In the presence of
4,5-epoxy-n-octane, the product from 10 µmoles n-1-
octene contained both 1,2-epoxy-n-octane (0.40 µmoles)
and n-octane-1,2-diol (0.23 µmoles), whereas in the

208 UNEP PUBLICATIONS


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005
absence of the inhibitor, only the glycol (0.64 µmoles)
could be detected. Thus, the inhibition of glycol
formation was 64%. In the presence of 1,2-epoxy-n-
octane, the substrate n-4-octene produced the epoxide
but not the glycol. The quantity of 4,5-epoxy-n-octane
produced was approximately equivalent to the amount of
glycol formed in the absence of the inhibitor. The
authors concluded that it is likely that the biological
conversion of the alkenes proceeds through epoxides.

Reliability: (1) Reliable without restrictions

Reference: Maynert, E.W., Foreman, R.L., and Watabe, T. (1970)


Epoxides as olbigatory intermediates in the metabolism
of olefins to glycols. J. Biological Chemistry 245(20):
5324-5238.

Other: This study was cited in the dossier for 1-


octene at SIAM 11.

B. Test Substance: CAS No. 592-76-7, 1-Heptene ; CAS No. 2216-38-8, 2-


Nonene;
CAS No. 592-47-2, 3-Hexene; CAS No. 16746-85-3, 4-Ethyl-
1-Hexene; CAS No. 15870-10-7, 2-Methyl-1-Heptene; CAS
No. 3404-77-13, 3-dimethyl-1-hexene; 3-methyl-1-octene
(tested individually)

Method Non-standard
Test Type in-vitro and in-vivo
GLP No data available
Year Unknown

Test Conditions: In-vitro: Incubation of hepatic microsomes from rats in


the presence of alkenes and NADPH with analysis for
presence of cytochrome P-450.

In-vivo: Phenobarbital-treated rats were injected i.p.


with 1-heptene, cis and trans 2-nonene, 4-ethyl-1-
hexene, and 3-methyl-1-octene at a dose of 400 µl/kg.
Four hrs after treatment, animals were sacrificed and
livers were analyzed for the presence of abnormal
hepatic pigments. These pigments have been shown to be
porphyrins derived from the prosthetic heme moiety of
inactivated P-450 enzymes.

Results: In vitro: Hepatic microsomal cytochrome P-450 was


destroyed in vitro,

in the presence of NADPH, by 4-ethyl-1-hexene, 3-methyl-


1-octene, and 1-heptene. The cis- and trans-2-nonenes
exhibited marginal destructive activity (10% loss after
30 minutes). No significant cytochrome P-450 loss was
observed after incubation with 2-methyl-1-heptene, 3,3-
dimethyl-1-hexene or 3-hexene, suggesting that steric
and electronic factors can suppress the destructive
interaction. The epoxides of 3 of the terminal olefin
substrates were synthesized and shown not to intervene
in destruction of the enzyme by the parent olefins.

UNEP PUBLICATIONS 209


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005

In vivo: Hepatic green pigments were formed after


administration of 4-ethyl-1-hexene, 3-methyl-1-octene
and 1-heptene, indicating destruction of the P-450
enzyme. The cis- and trans-2-nonenes produced no
abnormal pigments.

Reliability: (1) Reliable without restrictions

Reference: Ortiz de Montellano, P.R., and Mico, G.A. (1980)


Destruction of cytochrome P-450 by ethylene and other
olefins. Mol. Pharmacol. 18(1)128-135.

C. Test Substance: n-1-Octene, n-4-Octene, and 3-Ethyl-2-Pentene (tested


individually)

Method Non-standard
Test Type in-vitro
GLP No data
Year No data

Method: n-1-Octene (A) , n-4-Octene (B), and 3-Ethyl-2-Pentene


(C) and the corresponding epoxides and glycols were
studied systematically in an attempt to detect epoxide
intermediates in the biotransformation of olefins.

Test Conditions:

Results: In the presence of rat liver microsomes and TPNH, all 3


olefins were converted to the glycols with no trace of
epoxides. Treatment of B (1.6 X 10-3M) with microsomes
and TPNH in the presence of the A-epoxide (2 X 10-2M)
yielded B-epoxide without B-glycol. In contrast, A in
the presence of B-epoxide yielded approximately equal
amounts of A-epoxide and A-glycol. C-epoxide was
ineffective in inhibiting the hydrolase. The experiment
involving A-epoxide as a blocking agent indicates that
epoxides are obligatory intermediates in the conversion
of olefins to glycols.

Reliability: (2) Reliable with restrictions: report was an


abstract with limited data.

Reference: Watabe, T. and E.W. Maynert (1968) Role of epoxides in


the metabolism of olefins. Pharmacologist V10(1) :203

D. Test Substance: CAS No. 592-76-7, 1-Heptene

Method

Test Type: In vivo


GLP No data available
Year 1995

Method: Some olefins have been shown to be metabolized to


epoxides. For example, ethylene and propylene have been
shown to be metabolized to their corresponding oxides by
the presence in animals of the corresponding hemoglobin

210 UNEP PUBLICATIONS


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005
and DNA adducts. Absorption, distribution, elimination
and hemoglobin and DNA adduct formation were studied in
the rat after inhalation of individual C2 - C8 1-alkenes
[including 1-heptene] at 300 ppm, 12 hr /day for 3
consecutive days. Concentrations of olefins were
measured in blood, lung, brain, liver, kidney and
perirenal fat immediately after each exposure and 12 h
after the third exposure.

Results: Concentrations of olefins reached steady state levels


after the first 12 hr of exposure, and the
concentrations 12 hr after the last exposure were
generally low, except in the fat. Concentrations of 1-
alkenes in blood and tissues increased with increasing
number of carbon atoms. In contrast, levels of
hemoglobin and DNA adducts decreased with increasing
number of carbon atoms. The decrease was most
pronounced from C2 to C3.

Concentrations of individual 1-alkenes after the third


daily 12 hr exposure to 300 ppm and concentrations in
fat 12 hr after the third exposure (n=4). All
concentrations are in µmol/kg; nd = not detectable
(detection limits not provided)
Chemical Blood Liver Lung Brain Kidneys Fat Fat 12
hr after
3rd
exposure
Ethene 0.3 0.4 2.3 0.7 0.7 7 nd
Propene 1.1 0.3 2.9 1.7 1.8 36 nd
1-Butene 1.9 0.8 4.9 3.0 5.7 70 0.3
1- 8.6 51.6 31.4 41.0 105.7 368 19
Pentene
1-Hexene 18.2 66.8 59.7 59.7 188.0 1031 77
1- 37.0 138.3 85.6 109.3 269.3 2598 293
Heptene
1-Octene 60.1 443.7 202.4 270.0 385.1 4621 943

Remarks: The increased retention in fat of 1-alkenes with higher


carbon numbers is presumably a function of their
increased lipophilicity, and decreased likelihood to be
exhaled unchanged, compared to the lower volatile 1-
alkenes. Since unchanged 1-alkenes are not considered
to be toxic, and because tissue levels rapidly cleared
after exposure ceased, this concentration, especially in
fat tissues, is unlikely to have any biological effect.
An implication of the metabolic formation of an epoxide,
as determined by hemoglobin and DNA adducts, is that
the 1-alkenes are likely to be genotoxic. However
ethylene, which formed these adducts to a much greater
extent than the higher homologs, has been specifically
investigated in lifetime animal cancer bioassays at
concentrations up to 3000 ppm, and determined to be

UNEP PUBLICATIONS 211


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005
negative [Hamm, T.E. Jr., Guest, D, and Dent, J.G.
(1984) Fundam. Appl. Toxicol. 4(3 Pt 1):473-8]. It is
highly unlikely that the higher homologs, including 1-
hexene, will be genotoxic or carcinogenic under these
conditions.

Reliability: (1) Reliable without restrictions.

Reference: Eide, I., R. Hagerman, K. Zahlsen, E. Tareke, M.


Tornquist, R. Kumar, P. Vodicka and K. Hemminki (1995)
Uptake, distribution, and formation of hemoglobin and
DNA adducts after inhalation of C2-C8 1-alkenes
[olefins] in the rat. Carcinogenesis. 16, 1603 - 1609.

Other: This study was included in the dossier for 1-hexene at


SIAM 11. Additional information has been added.

5.2 Acute Toxicity

A. Acute oral toxicity

Test Substance

Identity (purity): CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich

Method

Method/guideline: NA
Type (test type): LD50
GLP: Pre-GLP
Year: 1975
Species/Strain: Albino Rat
Sex: Males
No. of animals per
sex per dose: 10

Vehicle: NA
Route of
administration: Oral gavage

Test Conditions: For the purpose of this study, the test material was
considered to be free of impurities. Age of the test
animals was not reported. Body weights ranged from 166
to 206g at initiation of the study and from 220 to 260g
on Day 7. A single dose of undiluted test material
(5,000 mg/kg) was administered to male rats (not
fasted). Individual body weights were recorded on Day 0
and Day 7. Gross necropsy examinations were performed
on all animals that died or were killed. The statistics
used to analyze the data were not reported.

Results:

Value: LD50 > 5000 mg/kg


Number of deaths
at each dose level: There were no deaths

212 UNEP PUBLICATIONS


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005
Remarks: Hypoactivity and diarrhea were noted within 6-22 hours
post-oral administration and subsided by the second
post-oral exposure day. There were no significant
findings observed during the gross necropsy examination.
Under the conditions of this study, Alkenes, C7-9, C8
rich have a low order of acute oral toxicity.

Reliability: (1) Reliable without restrictions, comparable to a


guideline study

Flag: Key study for SIDS endpoint.

References: Exxon Research and Engineering Company (1975) Chemical


Hazard Data Sheet on Octenes and Acute Oral Toxicity
Study, Acute Dermal Toxicity Study, Eye Irritation
Toxicity Test and Acute Vapor Inhalation Toxicity Study
with Alkenes, C7-9, C8 Rich (unpublished report).

B. Acute inhalation toxicity

Test Substance

Identity (purity): CAS No. 68526-53-4; Alkenes, C6-8, C7 rich

Method

Method/guideline: NA
Type (test type): LC50
GLP: Pre-GLP
Year: 1979
Species/Strain: Swiss albino Mice, Sprague-Dawley Rats, Hartley Guinea
Pigs
Sex: Males and Females
No. of animals
per sex per dose: 5

Vehicle: None
Route of
administration: Inhalation - vapor

Test Conditions: Age of the test animals was not reported. Body weights
ranged from 17 to 23 g (mice), 187 to 260 g (rats), and
293 to 381g (guinea pigs) at initiation of the study.
Animals were given a single dose of test substance vapor
at a concentration of 42.3 mg/L (10,533 ppm) for 6 h.
Control animals (5/sex/species) were exposed to clean
air as a sham exposure.

Room air, at a flow rate of 134 l/minute was bubbled


through test material in a flask to produce a vapor-
laden airstream that was directed, undiluted, into the
exposure chamber. The nominal exposure concentration
was calculated by dividing the mass of test material
consumed by the total volume of air passing through the
chamber. For the purpose of this study, the test
material was considered to be free of impurities.

Animals were observed throughout the exposure period for


signs of toxicity. Following the exposure period,
animals were observed for signs of toxicity daily for 14

UNEP PUBLICATIONS 213


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005
days. Body weights were recorded on Days 0, 1, 2, 4, 7,
and 14. Gross necropsies were performed on any animals
that died during the study and all animals at the
completion of the study. During the necropsies, the
lungs with trachea, kidneys, and liver were preserved
for possible histopathological examination. The
statistics used to analyze the data were not reported.

Results

Value: LC50 > 42.3 mg/L (10,533 ppm) for 6 h

Number of deaths
at each dose level: One female mouse died 1 hr into the exposure
period. Two guinea pigs (1 male and 1 female) died
by 45 minutes into the exposure period. No rats
died during the study.

Remarks: In mice, exposure to 42.3 mg/L of the test substance


resulted in 1 death (female) 1 hour into the exposure
period. All other mice survived until the end of the
study. None of the rats died during the study. Two
guinea pigs (1 male and 1 female) died by 45 minutes
into the exposure period. The remaining guinea pigs
survived until the end of the study. All exposed species
exhibited signs of systemic toxicity including labored
breathing, prostration, body tremors, and ataxia during
the exposure. However, in the surviving animals, these
signs completely reversed within 24 hours following the
exposure. Liver discoloration was noted upon necropsy
in the mouse and the two guinea pigs that died during
the exposure. Otherwise, no significant findings were
observed at necropsy. Under conditions of this study,
Alkenes, C6-8, C7 rich have a low order of acute
inhalation toxicity in rodents.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Bio/dynamics, Inc. (1979) An Acute Inhalation Toxicity


Study of MRD-ECH-78-32 in the Mouse, Rat, and Guinea
Pig. Conducted for Exxon Research and Engineering
Company (unpublished report).

C. Acute dermal toxicity

Test Substance

Identity (purity): CAS No. 68526-53-4; Alkenes, C6-8, C7 rich

Method

Method/guideline: Not specified


Type (test type): LD50
GLP: Pre-GLP
Year: 1978
Species/Strain: New Zealand White rabbits
Sex: Males and females

214 UNEP PUBLICATIONS


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005
No. of animals
per sex per dose: 2

Vehicle: None
Route of
administration: Dermal

Test Conditions: For the purpose of this study, the test material was
considered to be free of impurities. Concentration
levels were 200 and 3160 mg/kg. Test animals were at
least 9 weeks old and weighed between 2.2 and 3.3 kg at
the start of the study. Undiluted test material was
applied to clipped, abraded abdominal skin under gauze
and thick plastic. Following the 24-hour exposure
period, the wrapping was removed and the exposed area
was wiped to remove residue. Animals were observed for
gross signs of irritation and systemic toxicity 1,2,3,
and 4 hours post dose and daily for 14 days. Following
the post-exposure observation period, animals were
weighed, sacrificed and necropsied. Throughout the
study, food and water were available at all times and
animals were housed individually. Statistics used to
evaluate the data were not reported.

Results:

Value: LD50 > 3160 mg/kg


Number of deaths
at each dose level: No mortalities were observed at any dose tested.

Remarks: Lethargy and ataxia were observed in all animals, but


these symptoms cleared by Day 2. Dermal reactions were
generally moderate at 200 mg/kg and cleared by Day 14.
In the high dose group, more severe dermal reactions,
including moderate edema and severe erythema, persisted
through the study. No significant fluctuations in body
weight occurred. Necropsy findings were unremarkable
except for a pus-filled liver in 1 rabbit from the high
dose group. Under the conditions of this study, Alkenes,
C6-8, C7 rich have a low order of acute dermal toxicity.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: MB Research Laboratories, Inc. (1978) Acute Dermal


Toxicity in Albino Rabbits (unpublished report).

D. Acute toxicity, other routes

No data available

5.3 Corrosiveness/Irritation

A. Skin Irritation/Corrosion

Test Substance

UNEP PUBLICATIONS 215


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005

Identity (purity): CAS No. 68526-53-4; Alkenes, C6-8, C7 rich

Method

Method/guideline: Not specified


Type (test type): Dermal irritation
GLP: Pre-GLP
Year: 1978
Species/Strain: Albino rabbits
Sex: Males and females
No. of animals
per sex per dose: 2

Vehicle: None
Route of
administration: Dermal

Test Conditions: Concentration levels were 200 and 3160 mg/kg. Undiluted
test material was applied to clipped, abraded abdominal
skin under gauze and thick plastic. Following the 24-
hour exposure period, the wrapping was removed and the
exposed area was wiped to remove residue. Animals were
observed for gross signs of irritation and systemic
toxicity 1,2,3, and 4 hours post dose and daily for 14
days. Following the post-exposure observation period,
animals were weighed, sacrificed and necropsied.
Throughout the study, food and water were available at
all times and animals were housed individually. Test
animals were at least 9 weeks old and weighed between
2.2 and 3.3kg at the start of the study. Statistics
used to evaluate the data were not reported.

Results:

Value: Irritant
Dermal Scores
Dose Erythema Edema
Level Mean Max Mean Max

200 mg/kg 1.4 2.0 0.5 1.5


3160 mg/kg 2.6 3.0 1.3 2.3

Number of deaths
at each dose level: No mortalities were observed at any dose tested.

Remarks: Dermal reactions were generally moderate at 200 mg/kg


and cleared by Day 14. In the high dose group, more
severe dermal reactions, including moderate edema and
severe erythema, persisted through the study. No
significant fluctuations in body weight occurred.
Necropsy findings were unremarkable except for a pus-
filled liver in 1 rabbit from the high dose group.

Reliability: (1) Reliable without restrictions

References: MB Research Laboratories, Inc. (1978) Acute Dermal


Toxicity in Albino Rabbits (unpublished report).

216 UNEP PUBLICATIONS


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005
B. Eye Irritation/Corrosion

(1) Test Substance

Identity (purity): CAS No. 68526-53-4; Alkenes, C6-8, C7 rich

Method

Method/guideline: Not specified


Type (test type): Ocular irritation
GLP: Pre-GLP
Year: 1978
Species/Strain: Albino rabbits
Sex: Males and females
No. of animals
per dose: 6

Vehicle: None
Route of
administration: Ocular

Test Conditions: The test material was administered as a single


instillation of 0.1 ml into the lower conjunctival
sac of the right eye of each animal. The upper
and lower lids were gently held together briefly
to insure adequate distribution of the test
material. The contralateral eye in each rabbit
served as the control. Throughout the study, food
and water were available at all times and animals
were housed individually. Test animals were at
least 9 weeks old and weighed between 1.8 and
3.5kg at the start of the study. Statistics used
to evaluate the data were not reported.
The general health of each rabbit was examined for
irritation of the cornea, iris and conjunctiva at
1 and 4 hours and on days 1, 2, 3, 4 and 7.
Ocular reactions were graded according to the
Draize Standard Eye Irritation Grading Scale.

Results: Maximum total Draize score = 15

Remarks: There were no animal deaths prior to study


termination. Based on these findings, this test
material is neither an irritant or a non-irritant
according to the criteria of this test. Slight to
moderate irritation was noted at the first and
fourth hour. Slight irritation continued to Day 2
in two rabbits.

Reliability: (1) Reliable without restrictions

References: MB Research Laboratories, Inc. (1978) Eye


Irritation in Albino Rabbits (unpublished report).

(2) Test Substance

Identity (purity): CAS No. 68526-53-4; Alkenes, C6-8, C7 rich

Method

Method/guideline: Not specified

UNEP PUBLICATIONS 217


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005
Type (test type): Ocular irritation
GLP: Pre-GLP
Year: 1975
Species/Strain: Albino rabbits
Sex: Males and females
No. of animals
per dose: 6

Vehicle: None
Route of
administration: Ocular

Test Conditions: The test material was administered as a single


instillation of 0.1 ml into the lower conjunctival
sac of the right eye of each animal. The upper
and lower lids were gently held together briefly
to insure adequate distribution of the test
material. The contralateral eye in each rabbit
served as the control. Throughout the study, food
and water were available at all times and animals
were housed individually. The age and weight of
the test animals was not reported Statistics used
to evaluate the data were not reported. The
general health of each rabbit was examined for
irritation of the cornea, iris and conjunctiva at
1 and 4 hours and on days 1, 2, 3, 4 and 7.
Ocular reactions were graded according to the
Draize Standard Eye Irritation Grading Scale.

Results: Maximum total Draize score = 15

Remarks: There were no animal deaths prior to study


termination. All observations were completely
cleared by 72 hours. Based on these findings,
this test material was minimally irritating.
Slight to moderate irritation was noted at the
first and fourth hour.

Reliability: (1) Reliable without restrictions

References: Industrial Bio-Test Laboratories, Inc. (1975) Eye


Irritation Test - Albino Rabbits (unpublished
report).

5.4 Skin Sensitisation

No data available

5.5 Repeated Dose Toxicity

No data available

5.6 Genetic Toxicity in vitro

A. Gene Mutation
No data available

218 UNEP PUBLICATIONS


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005
B. Chromosomal Aberration

No data available

5.7 Genetic Toxicity in vivo

Test Substance

Identity (purity): CAS No. 68526-53-4; Alkenes, C6-8, C7 Rich

Method

Method/guideline: EPA OTS 798.5395


Type: Micronucleus Assay
GLP: Yes
Year: 1993
Species: Mouse
Strain: B6C3F1
Sex: Male and female
Route of
Administration: Oral gavage
Concentration levels: 1.25, 2.5, and 5 g/kg. Concentrations were based on the
results of a range-finding study.
Exposure period: Single dose
Statistical methods: Analysis of variance (ANOVA), Duncan's Multiple Range
Test. Sexes were analyzed separately.

Test Conditions: For the purpose of this study, the test material was
considered to be free of impurities. The test material and
the carrier (corn oil) were administered by oral gavage as
single doses to 15 mice/sex/dose (not fasted). The positive
control, cyclophosphamide, was also administered by oral
gavage as a single dose of 40 mg/kg. The dosing volume was
the same as that of the test material. The test animals were
approximately 7 to 9 weeks of age and weighed between 19 and
28 g at the start of the study. Animals from the appropriate
groups (5 animals/sex/group) were sacrificed by carbon dioxide
asphyxiation at appropriately 24, 48 and 72 hours after dose
administration. Animals dosed with cyclophosphamide were
sacrificed at 24 hours only. Immediately upon sacrifice, the
bone marrow was removed from both femurs of each animal,
resuspended in fetal bovine serum, and prepared for
microscopy. Samples were blindly coded and stained with
acridine orange. 1000 polychromatic erythrocytes (PCE) from
each animal were examined for micronuclei, and the ratio of
PCE's to NCE's (normochromatic erythrocytes) was determined
for each animal by counting 1000 erythrocytes (PCE's and
NCE's).
Results

Effect on
PCE/NCE ratio: None
Genotoxic effects: Under the conditions of this study, the test sample is
not considered to be mutagenic at doses up to and including
5.0 g/kg.

NOEL: 5.0 g/kg

Remarks: There was no statistically significant increase in the mean


number of micronucleated polychromatic erythrocytes,

UNEP PUBLICATIONS 219


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005
indicating that the test material was not clastogenic. The
positive control induced a statistically significant increase
in the mean number of micronucleated polychromatic
erythrocytes, which indicates that the positive control is
clastogenic. The test material did not induce a statistically
significant increase in the mean number of micronucleated
polychromatic erythrocytes. In addition, the test material
did not induce a significant decrease in the mean percent of
polychromatic erythrocytes, which is a measure of bone marrow
toxicity.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Exxon Chemical Company (1993) In vivo Mammalian Bone Marrow


Micronucleus Assay: Oral Gavage Method (unpublished report).

5.8 Carcinogenicity

No data available

5.9 Reproductive Toxicity (including Fertility and Developmental Toxicity).

A. Fertility

No data available

B. Developmental Toxicity

No data available

5.10 Other Relevant Information

Aspiration

Test Substance

Identity: C6-18 even carbon numbered alpha olefins

Method

Type: General toxicity – aspiration


Species: Rat
Strain: Wistar
Sex: Male
Route of
Administration: aspiration
Dose: 0.2 mL

Results: See Remarks

220 UNEP PUBLICATIONS


OECD SIDS HEPTENE
5. TOXICITY ID: 25339-56-4
DATE: 28.04.2005
Remarks: C6-C18 alkenes (even carbon numbers, alpha olefins), source
and purity unspecified, were assessed for aspiration hazard in
an animal study using Wistar rats. Four or five males were
used per test article. Two-tenths mL of the test material was
placed in the mouths of rats that had been anesthetized to the
point of apnea in a covered wide mouth gallon jar containing
about 1 inch of wood shavings moistened with approximately 1
ounce of anhydrous diethyl ether. As the animals began to
breathe again, the nostrils were held until the test material
had been aspirated or the animal regained consciousness. All
alkenes tested except 1- hexene were aspirated into the lungs.
1-Hexene was difficult to dose because of its volatility. Two
animals survived because the hydrocarbon “boiled” out of the
mouth before it was aspirated. All animals exposed to C8 to C14
died within 24 hours. With C16 and C18, there was only one
death (C18). Lung weights were increased in alkenes-treated
animals compared with controls. The affected animals showed
chemical pneumonitis. The report concluded that there is a
significant aspiration hazard with C6 to C14 alkenes.

Reference: Gerarde, H.W. (1963) Toxicological Studies on Hydrocarbons.


Archives of Environmental Health 6:329-341.

5.11 Experience with Human Exposure

No data available

UNEP PUBLICATIONS 221


OECD SIDS HEPTENE
6. REFERENCES ID: 25339-56-4
DATE: 28.04.2005
American Chemistry Council’s Higher Olefins Panel (2002) Personal communication.

Atkinson, R (1989); EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental Protection Agency, Office
of Pollution Prevention and Toxics, U.S.A.

Bio/dynamics, Inc. (1979) An Acute Inhalation Toxicity Study of MRD-ECH-78-32 in


the Mouse, Rat, and Guinea Pig. Conducted for Exxon Research and Engineering
Company (unpublished report).

Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J. Beaumann and N. Tirado


(1994) Group contribution method for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.

Daubert, T.E. and R.P. Danner (1989) Physical and Thermodynamic Properties of
Pure Chemicals: Data Compilation; Design Institute for Physical Property Data,
American Institute of Chemical Engineers. Hemisphere Pub. Corp., New York, NY;
EPIWIN (2000). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

Eide, I., R. Hagerman, K. Zahlsen, E. Tareke, M. Tornquist, R. Kumar, P. Vodicka


and K. Hemminki (1995) Uptake, distribution, and formation of hemoglobin and DNA
adducts after inhalation of C2-C8 1-alkenes [olefins] in the rat.
Carcinogenesis. 16, 1603 - 1609.

EPIWIN (2000). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

Exxon Biomedical Sciences, Inc. (1996) Fish Acute Toxicity Test. Study #119158.
Exxon Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished report).

Exxon Biomedical Sciences, Inc. (1997) Ready Biodegradability: OECD 301F


Manometric Respirometry. Study #119194A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).

Exxon Chemical Company (1993) In vivo Mammalian Bone Marrow Micronucleus Assay:
Oral Gavage Method (unpublished report).

Exxon Research and Engineering Company (1975) Chemical Hazard Data Sheet on
Octenes and Acute Oral Toxicity Study, Acute Dermal Toxicity Study, Eye
Irritation Toxicity Test and Acute Vapor Inhalation Toxicity Study with Alkenes,
C7-9, C8 Rich (unpublished report).

Gerarde, H.W. (1963) Toxicological Studies on Hydrocarbons. Archives of


Environmental Health 6:329-341.

Gould, E.S. (1959) Mechanism and Structure in Organic Chemistry, Holt, Reinhart
and Winston, New York, NY, USA.

Hansch. C., A. Leo and D. Hoekman (1995) Exploring QSAR. Hydrophobic,


Electronic, and Steric Constants. ACS Professional Reference Book. Washington,
DC: American Chemical Society.

Harris J C (1982a). Rate of Aqueous Photolysis. Chapter 8 in: W. J. Lyman, W. F.


Reehl, and D. H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, USA

222 UNEP PUBLICATIONS


OECD SIDS HEPTENE
6. REFERENCES ID: 25339-56-4
DATE: 28.04.2005
Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in: W.J. Lyman, W.F. Reehl,
and D.H. Rosenblatt, eds., Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.

Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M. Meylan, A.E. Hueber, J.A.
Beauman and M.E. Larosche (1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem.
11:593-603.

Industrial Bio-Test Laboratories, Inc. (1975) Eye Irritation Test - Albino


Rabbits (unpublished report).

Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using


Multivariate Statistical Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E. Poling, Eds.

Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry and Physics. 79th ed. Boca
Raton, FL: CRC Press Inc., p. 3-181.

Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds. (1990) Handbook of Chemical
Property Estimation. Chapter 14. Washington, D.C.: American Chemical Society.

Maynert, E.W., Foreman, R.L., and Watabe, T. (1970) Epoxides as olbigatory


intermediates in the metabolism of olefins to glycols. J. Biological Chemistry
245(20): 5324-5238.

MB Research Laboratories, Inc. (1978) Acute Dermal Toxicity in Albino Rabbits


(unpublished report).

MB Research Laboratories, Inc. (1978) Eye Irritation in Albino Rabbits


(unpublished report).

Meylan, W. and P. Howard (1995) Atom/fragment contribution method for estimating


octanol-water partition coefficients. J. Pharm. Sci. 84:83-92.
Meylan, W., P. Howard and R. Boethling (1996) Improved method for estimating
water solubility from octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.

Meylan, W., P.H. Howard and R.S. Boethling (1992) Molecular topology/fragment
contribution method for predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7

Neely and Blau (1985) Environmental Exposure from Chemicals, Volume 1, p. 31,
CRC Press.

Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G. E. Blau, eds.


Environmental Exposure from Chemicals. Vol I., pp. 157-173. CRC Press, Boca
Raton, FL, USA.

NLM (2003). TRI (Toxic Release Inventory). U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September 2003 (http://toxnet.nlm.nih.gov).

Ortiz de Montellano, P.R., and Mico, G.A. (1980) Destruction of cytochrome P-450
by ethylene and other olefins. Mol. Pharmacol. 18(1)128-135.

Shell Chemical Company MSDS

Shell Chemicals UK Ltd. Chester (cited in IUCLID)

UNEP PUBLICATIONS 223


OECD SIDS HEPTENE
6. REFERENCES ID: 25339-56-4
DATE: 28.04.2005
Stein, S. and R. Brown (1994) Estimation of normal boiling points from group
contributions (1994) J. Chem. Inf. Comput. Sci. 34: 581-587.

Trent University (2004). Level I Fugacity-based Environmental Equilibrium


Partitioning Model (Version 3.00) and Level III Fugacity-based Multimedia
Environmental Model (Version 2.80.1). Environmental Modeling Centre, Trent
University, Peterborough, Ontario. (Available at http://www.trentu.ca/cemc)

Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and H. Loonen (2000)


Predicting ready biodegradability in the MITI Test. Environ. Toxicol. Chem.
(accepted for publication)

Watabe, T. and E.W. Maynert (1968) Role of epoxides in the metabolism of


olefins. Pharmacologist V10(1) :203

Yalkowsky, S.H. and R.M. Dannenfelser (1992) AQUASOL dATAbASE of Aqueous


Solubility. Fifth ed. Tucson, AZ, University of Arizona, College of Pharmacy

Zepp, R. G. and D. M. Cline (1977). Rates of Direct Photolysis in the Aqueous


Environment, Environ. Sci. Technol., 11:359-366.

224 UNEP PUBLICATIONS


OECD SIDS OCTENE

SIDS DOSSIER
ON THE HPV CHEMICAL

OCTENE

CAS No.: 25377-83-7

Contains Robust Summaries for the Following Substances:

CAS No. 25377-83-7, Octene


CAS No. 111-66-0, 1-Octene
CAS No. 68526-54-5, Alkenes, C7-9, C8 Rich
C6-C8 Internal Olefins
CAS No. 111-67-1, 2-Octene
CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich

Sponsor Country: USA

Date of submission to OECD: April 28, 2005

UNEP PUBLICATIONS 225


OECD SIDS OCTENE
1. GENERAL INFORMATION ID: 25377-83-7
DATE: 28.04.2005
1. GENERAL INFORMATION

Substance Information

A. CAS Number: 25377-83-7

B. Name (OECD): Octene

C. Name (IUPAC): Octene

D. CAS Descriptor: Not applicable

E. EINECS Number: 246-920-8

F. Molecular Formula: C8 H16

G. Structural Formula: Various linear or branched isomers with internal


double bonds with the basic structure of CH3-
CH=CH-(CH2)4-CH3

Sponsor Country: United States of America

Lead Organisation:

Name of Lead Organisation: United States of America Environmental


Protection Agency
Contact person: Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
Address:
• Street: 1200 Pennsylvania Avenue, NW
• Postal code: 20460
• Town: Washington, D.C. 20460
• Country: United States of America
• Tel: (202) 564-7461

Name of Responder (Industry Consortium):

Name: American Chemistry Council (Higher Olefins


Panel)
Contact: Mr. W. D. Anderson, Higher Olefins Panel Manager
Address:
• Street: 1300 Wilson Boulevard
• Postal code: 22209
• Town: Arlington, VA
• Country: United States of America
• Tel: (703)741-5616
• Fax: (703) 741-6091

Details on Chemical Category

This profile includes an evaluation of SIDS-level testing data, using a category


approach, with six individual internal olefins (C6 – C10 and C12), a C10 – 13
internal olefins blend and two linear alpha olefins (1-hexadecene and 1-

226 UNEP PUBLICATIONS


OECD SIDS OCTENE
1. GENERAL INFORMATION ID: 25377-83-7
DATE: 28.04.2005
octadecene), all of which are monoolefins. The internal olefins are
predominantly linear, but may contain small amounts of branched materials. For
the purposes of the ICCA HPV Program, the category was defined as “Higher
Olefins.” The category designation was based on the belief that, within the C6
to C18 boundaries identified, internalizing the location of the carbon-carbon
double bond, increasing the length of the carbon chain, and/or changing the
carbon skeleton’s structure from linear to branched does not change the toxicity
profile, or changes the profile in a consistent pattern from lower to higher
carbon numbers. This expectation is supported by a large amount of existing data
for alpha and internal olefins with carbon numbers ranging from C6 to C24. The
members of the category are:

Hexene CAS # 25264-93-1

Heptene CAS # 25339-56-4

Octene CAS # 25377-83-7

Nonene CAS # 27215-95-8

Decene CAS # 25339-53-1

Dodecene CAS # 25378-22-7

Alkenes, C10-C13 CAS# 85535-87-1

1-Hexadecene CAS # 629-73-2

1-Octadecene CAS # 112-88-9

1.1 General Substance Information

A. Type of Substance

Element [ ]; Inorganic [ ]; Natural substance [ ]; Organic [X ];


Organometallic [ ];
Petroleum product [ ]

B. Physical State (at 20°C and 1.013 hPa)

Gaseous [ ]; Liquid [X ]; Solid [ ]

C. Purity:

Remark: This substance is manufactured and marketed as a component of


a C6-C8 Olefins distillation cut. Synonyms: C68 Olefins,
SHOP C68-Internal Olefins
C6-C8 Internal Olefins, I C6-C8. The C6-C8 internal olefin
blend has been reported as comprising 1.9% C5, 43.3% C6, 21.7%
C7, 31.7% C8, 1.4% C9.

1.2 Impurities:

1.3 Additives

None

UNEP PUBLICATIONS 227


OECD SIDS OCTENE
1. GENERAL INFORMATION ID: 25377-83-7
DATE: 28.04.2005
1.4 Synonyms

Some synonyms are: Octene, Isomer(s)


Octylene
Octenes

1.5 Quantity

Remarks: U.S. production volume for octene in 2002 was 50-100 million pounds.
This information was provided by the members of the American
Chemistry Council’s Higher Olefins Panel.

Reference: American Chemistry Council’s Higher Olefins Panel (2002)

1.6 Use Pattern

A. General Use Pattern

Type of Use: Category:

(a) Main Use in closed systems


Industrial Chemical industry – chemicals used in
synthesis
Use Intermediate

Remarks: Intermediate in the manufacture of low


molecular weight fatty acids, mercaptans,
plasticizer alcohols, surfactants

(b) Main Non-dispersive use


Industrial Chemical industry – chemicals used in
synthesis
Use Intermediate

Remarks: Intermediate in the manufacture of low


molecular weight fatty acids, mercaptans,
plasticizer alcohols, surfactants

(c) Main Use in closed systems


Industrial Polymers industry
Use Intermediate

Reference: American Chemistry Council’s Higher Olefins Panel (2002)

B. Uses In Consumer Products

Not applicable

1.7 Sources of Exposure

Source:

Remarks: This product is produced commercially in closed systems and is used


primarily as an intermediate in the production of other chemicals
(including polymers). No non-intermediate applications have been
identified. Any occupational exposures that do occur are most likely
by the inhalation and dermal routes. It is a common practice to use
personal protective equipment. In the case of dermal exposures,

228 UNEP PUBLICATIONS


OECD SIDS OCTENE
1. GENERAL INFORMATION ID: 25377-83-7
DATE: 28.04.2005
protective gloves would be worn due to the mildly irritating
properties of this class of chemicals (ACC Higher Olefins Panel).
Results from modelled data suggest that on-site waste treatment
processes are expected to remove this substance from aqueous waste
streams to the extent that it will not be readily detectable in
effluent discharge (EPIWIN, 2000b). This substance is not on the US
Toxic Release Inventory (TRI) list (NLM, 2003). This olefin will not
persist in the environment because it can be rapidly degraded
through biotic and abiotic processes.

Reference: American Chemistry Council’s Higher Olefins Panel (2002)

1.8 Additional Information

A. Classification and Labelling

Classification

Type: as in Directive 67/548/EEC


Category of danger: Highly Flammable, Harmful, Irritant, Dangerous to
the Environment
R-phrases: (11) Highly flammable
38) Irritating to skin
(51/53) Toxic to aquatic organisms and may cause
long-term adverse
effects in the aquatic environment
(65) Harmful: may cause lung damage if swallowed

Labelling

Type: as in Directive 67/548/EEC


Specific limits: no
Symbols: F, Xn, N
Nota:
R-phrases: (11) Highly flammable
(38) Irritating to skin
(51/53) Toxic to aquatic organisms and may cause long-
term adverse
effects in the aquatic environment
(65) Harmful: may cause lung damage if swallowed

S-phrases: (9) Keep container in a well ventilated place


(16) Keep away from sources of ignition – No smoking
(24) Avoid contact with skin
(29) Do not empty into drains
(33) Take precautionary measures against static
discharges
(61) Avoid release to the environment
(S62) If swallowed, do not induce vomiting: seek medical
advice immediately and show this container or label

B. Occupational Exposure Limits

Exposure Limit Value

Type: None established


Value:

UNEP PUBLICATIONS 229


OECD SIDS OCTENE
1. GENERAL INFORMATION ID: 25377-83-7
DATE: 28.04.2005
Short Term Exposure Limit Value

Value: None established

C. OPTIONS FOR DISPOSAL

Remarks: Incineration, diversion to other hydrocarbon uses

D. Last Literature Search

Type of search: Internal and external


Date of search: October 2003
Remark: Medline
IUCLID
TSCATS
ChemIDplus
AQUIRE - ECOTOX

230 UNEP PUBLICATIONS


OECD SIDS OCTENE
2. PHYSICO-CHEMICAL DATA ID: 25377-83-7
DATE: 28.04.2005
2.1 Melting Point

A. Test Substance

Identity: CAS No. 25377-83-7, Octene

Method

Method/
guideline followed: No data
GLP: No data
Year: No data

Test Conditions: No data

Results

Melting point
value in °C: -109°C

Reliability: (2) Reliable with restrictions: The result is measured


data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

References: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

B. Test Substance

Identity: CAS No. 25377-83-7, Octene

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
version 3.10
GLP: Not applicable
Year: Not applicable

Test Conditions: Melting Point is calculated by the MPBPWIN subroutine,


which is based on the average results of the methods of
K. Joback, and Gold and Ogle, and chemical structure.
Joback's Method is described in Joback, (1982). The Gold
and Ogle Method simply uses the formula Tm = 0.5839Tb,
where Tm is the melting point in Kelvin and Tb is the
boiling point in Kelvin. Program used the structure for
1-octene.

Results
Melting point
value in °C: -69.8°C

Reliability: (2) Reliable with restrictions. The result is


calculated data based on chemical structure as modeled
by EPIWIN.

UNEP PUBLICATIONS 231


OECD SIDS OCTENE
2. PHYSICO-CHEMICAL DATA ID: 25377-83-7
DATE: 28.04.2005
References: Joback, K.G. 1982. A Unified Approach to Physical
Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

C. TEST SUBSTANCE

Identity: C6-C8 Internal Olefins

Method

Method/guideline followed: ASTM D2386


GLP: No data
Year: No data

Test Conditions: No data

Results

Melting point value in °C: -50°C

Reliability: (4) Not assignable. These data were not reviewed


for quality.

References: Shell Chemicals UK Ltd. Chester (cited in IUCLID)

D. TEST SUBSTANCE

Identity: 2-Octene

Method

Method/guideline followed: No data


GLP: No data
Year: No data

Test Conditions: No data

Results

Melting point value in °C: -100.2 to -87.7°C

Reliability: (2) Reliable with restrictions. These data were


not reviewed for quality.

References: Lide, D.R. (ed.) (1998-1999) CRC Handbook of


Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-233.

232 UNEP PUBLICATIONS


OECD SIDS OCTENE
2. PHYSICO-CHEMICAL DATA ID: 25377-83-7
DATE: 28.04.2005
E. TEST SUBSTANCE

Identity: 3-Octene

Method

Method/guideline followed: No data


GLP: No data
Year: No data

Test Conditions: No data

Results

Melting point value in °C: -126 to -110 °C

Reliability: (2) Reliable with restrictions. Reliable


secondary source. These data were not reviewed for
quality.

References: Lide, D.R. (ed.) (1998-1999) CRC Handbook of


Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-233.

2.2 Boiling Point

A. Test Substance

Identity: CAS No. 25377-83-7, Octene

Method

Method/
guideline followed: No data
GLP: No data
Year: No data

Test Conditions: No data

Results

Boiling point
value in °C: 123°C
Pressure: 1013
Pressure unit: hPa

Reliability: (2) Reliable with restrictions. The result is measured


data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

References: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

B. Test Substance

UNEP PUBLICATIONS 233


OECD SIDS OCTENE
2. PHYSICO-CHEMICAL DATA ID: 25377-83-7
DATE: 28.04.2005
Identity: CAS No. 25377-83-7, Octene

Method

Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
GLP: Not applicable
Year: Not applicable

Test Conditions: Boiling Point is calculated by the MPBPWIN subroutine,


which is based on the method of Stein and Brown (1994).
Program used the structure for 1-octene.

Results

Boiling point
value in °C: 118.13°C
Pressure: 1013
Pressure unit: hPa

Reliability: (2) Reliable with restrictions. The result is


calculated data based on chemical structure as modeled
by EPIWIN.

References: Stein, S. and R. Brown (1994) Estimation of normal


boiling points from group contributions (1994) J. Chem.
Inf. Comput. Sci. 34: 581-587.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

C. Test Substance

Identity: C6-C8 Internal Olefins

Method
Method: ASTM D68
GLP: No data
Year: No data

Test Conditions: No data

Results

Boiling point value: 74-120°C


Pressure: No data
Remarks: Upper value is for 90% distilled.

Reliability: (4) Not assignable. These data were not reviewed for
quality.

References: Shell Chemicals UK Ltd. Chester (cited in IUCLID)

234 UNEP PUBLICATIONS


OECD SIDS OCTENE
2. PHYSICO-CHEMICAL DATA ID: 25377-83-7
DATE: 28.04.2005
D. TEST SUBSTANCE

Identity: 2-Octene

Method

Method/guideline followed: No data


GLP: No data
Year: No data

Test Conditions: No data

Results

Boiling point value: 125 – 125.6°C


pressure: 1013
Pressure unit: hPa

Reliability: (2) Reliable with restrictions. Reliable


secondary source. These data were not reviewed for
quality.

References: Lide, D.R. (ed.) (1998-1999) CRC Handbook of


Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-233.

2.3 Density

A. Test Substance

Identity: C6-C8 Internal Olefins

Method

Method: ISO 3675


GLP: No data

Test Conditions: No data

Results

Type: density
Value: ca. 700 kg/m3
Temperature (°C): 20°C

Reliability: (2) Reliable with restrictions. These data were not


reviewed for quality.

Reference: Shell Chemicals UK Ltd. Chester (cited in IUCLID)

B. Test Substance

Identity: 2-Octene

Method

Method: No data
GLP: No data

UNEP PUBLICATIONS 235


OECD SIDS OCTENE
2. PHYSICO-CHEMICAL DATA ID: 25377-83-7
DATE: 28.04.2005

Test Conditions: No data

Results

Type: density
Value: 0.7199 - 0.7243 g/cm3
Temperature (°C): 20°C

Reliability: (2) Reliable with restrictions. Reliable secondary


source. These data were not reviewed for quality.

Reference: Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry


and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., p.
3-233.

2.4 Vapour Pressure

A. Test Substance

Identity: CAS No. 25377-83-7, Octene

Method

Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
GLP: Not applicable
Year:

Test Conditions: Vapor Pressure is calculated by the MPBPWIN subroutine,


which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985. The calculation used
an experimental value for BP of 123 °C, cited in the
EPIWIN database.

Results
Vapor Pressure
Value: 22 hPa
Temperature: 25°C
Remarks: Reported as 16.5 mm Hg (25°C)

Reliability: (2) Reliable with restrictions. The result is


calculated data as modeled by EPIWIN.

Flag: Key study for SIDS endpoint

References: Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.


(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.

Neely and Blau (1985) Environmental Exposure from


Chemicals, Volume 1, p. 31, CRC Press.

236 UNEP PUBLICATIONS


OECD SIDS OCTENE
2. PHYSICO-CHEMICAL DATA ID: 25377-83-7
DATE: 28.04.2005
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

B. Test Substance

Identity: CAS No. 111-66-0, 1-Octene

Method

Method/
guideline followed: No data
GLP: No data
Year: No data

Test Conditions: No data

Results
Vapor Pressure
Value: 23.2 hPa
Temperature: 25°C
Remarks: Reported as 17.4 mm Hg (25°C)

Reliability: (2) Reliable with restrictions. The result is


experimental data as cited in EPIWIN.

Flag: Key study for SIDS endpoint

References: Yaws (1994); cited in EPIWIN (2000a) Estimation Program


Interface for Windows, version 3.10. Syracuse Research
Corporation, Syracuse, NY. USA.

2.5 Partition Coefficient (log10Kow)

A. TEST SUBSTANCE

Identity: CAS No. 111-66-0, 1-Octene

Method

Method: No data
GLP: No data
Year: No data
Test Conditions: No data

Results

Log Kow: 4.57


Temperature (°C ): No data

Reliability: (2) Reliable with restrictions. The result is measured


data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

UNEP PUBLICATIONS 237


OECD SIDS OCTENE
2. PHYSICO-CHEMICAL DATA ID: 25377-83-7
DATE: 28.04.2005

Reference: Hansch, C., A. Leo and D.. Hoekman (1995) Exploring


QSAR. Hydrophobic, Electronic, and Steric constants. ACS
Professional Reference Book. Washing, DC: American
Chemical Society.

EPIWIN (2000a). Estimation Program Interface for


Windows, version 3.10. Syracuse Research Corporation,
Syracuse, NY. USA.

B. Test Substance

Identity: C6-C8 Internal Olefins

Method

Method: No data
GLP: No data
Year: No data

Test Conditions: No data

Results

Log Kow: 3.4 – 4.6

Reliability: (4) Not assignable. These data were not reviewed for
quality.

References: Shell Chemicals UK Ltd. Chester, as cited in IUCLID

C. TEST SUBSTANCE

Identity: CAS No. 25377-83-7, Octene

Method

Method: Calculated value using the computer program EPIWIN


version 3.10, subroutine KOWWIN v 1.66
GLP: Not applicable
Year: Not applicable
Test Conditions: Octanol / Water Partition Coefficient is calculated by
the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). Program used the structure for 1-octene.

Results

Log Kow: 4.13


Temperature (°C ): Not applicable

Reliability: (2) Reliable with restrictions. The result was


calculated based on chemical structure as modeled by
EPIWIN.

238 UNEP PUBLICATIONS


OECD SIDS OCTENE
2. PHYSICO-CHEMICAL DATA ID: 25377-83-7
DATE: 28.04.2005
Reference: Meylan, W. and P. Howard (1995) Atom/fragment
contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.
EPIWIN (2000a). Estimation Program Interface for
Windows, version 3.10. Syracuse Research Corporation,
Syracuse, NY. USA.

2.6.1 Water Solubility (including *Dissociation Constant).

A. Test Substance

Identity: CAS No. 25377-83-7, Octene

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
3.11, subroutine WSKOW v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Water Solubility is calculated by the WSKOW


subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996.
Experimental Log Kow value of 4.57 from EPIWIN
database used for calculation. Used structure for
1-octene and experimental melting point of -109°C
for correction.

Results

Value(mg/L) at
temperature ( °C): 3.65 mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result is a


calculated value.

Flag: Key study for SIDS endpoint

References: Meylan, W., P. Howard and R. Boethling (1996)


Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.

EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 111-66-0, 1-Octene

Method

Method/
guideline followed: No data
GLP: No data
Year: No data

UNEP PUBLICATIONS 239


OECD SIDS OCTENE
2. PHYSICO-CHEMICAL DATA ID: 25377-83-7
DATE: 28.04.2005

Test Conditions: No data

Results

Value (mg/L)
at temperature (°C): 4.1 mg/L (25°C)

Reliability: (2) Reliable with restrictions. Experimental result as


cited in the EPIWIN database. These data were not
reviewed for quality.

Flag: Key study for SIDS endpoint

References: Yalkowsky, S.H. and R.M. Dannenfelser (1992) AQUASOL


dATAbASE of Aqueous Solubility. Fifth ed. Tucson, AZ,
University of Arizona, College of Pharmacy

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

2.6.2 Surface tension

No data available

2.7 Flash Point (Liquids)

Test Substance

Identity: C6-C8 Internal Olefins

Method

Method: ISO 2719


GLP:

Test Conditions: No data

Results

Value (°C): -26 °C


Type of test: Closed cup

Reliability: (4) Not assignable. These data were not reviewed for quality.

Reference: Shell Chemicals UK Ltd. Chester (cited in IUCLID)

2.8 Auto Flammability (Solids/Gases)

No data available

2.9 Flammability

Test Substance

Identity: C6-C8 Internal Olefins

240 UNEP PUBLICATIONS


OECD SIDS OCTENE
2. PHYSICO-CHEMICAL DATA ID: 25377-83-7
DATE: 28.04.2005

Method

Method: No data
GLP: No data

Test Conditions: No data

Result: Highly flammable

Lower flammability limit: 0.8% in air


Upper flammability limit: 6.8% in air

Reliability: (2) Reliable with restrictions. Reliable source. Data were not
evaluated for quality.

Reference: Shell Chemical Company MSDS

2.10 Explosive Properties

No data available

2.11 Oxidising Properties

No data available

2.12 Oxidation-Reduction Potential

No data available

UNEP PUBLICATIONS 241


OECD SIDS OCTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25377-83-7
DATE: 28.04.2005
3.1 Stability

A. Photodegradation

(1) Test Substance

Identity: CAS No. 25377-83-7, Octene

Method

Method/
guideline followed: Other: Technical discussion

Type: water
GLP: Not applicable
Year: Not applicable

Test Conditions: Not applicable

Results

Direct photolysis: In the environment, direct photolysis will


not significantly contribute to the degradation of
constituent chemicals in the Higher Olefins
Category.

Remarks: The direct photolysis of an organic molecule


occurs when it absorbs sufficient light energy to
result in a structural transformation (Harris,
1982a). The reaction process is initiated when
light energy in a specific wavelength range
elevates a molecule to an electronically excited
state. However, the excited state is competitive
with various deactivation processes that can
result in the return of the molecule to a non
excited state.

The absorption of light in the ultra violet (UV)-


visible range, 110-750 nm, can result in the
electronic excitation of an organic molecule.
Light in this range contains energy of the same
order of magnitude as covalent bond dissociation
energies (Harris, 1982a). Higher wavelengths (e.g.
infrared) result only in vibrational and
rotational transitions, which do not tend to
produce structural changes to a molecule.

The stratospheric ozone layer prevents UV light of


less than 290 nm from reaching the earth's
surface. Therefore, only light at wavelengths
between 290 and 750 nm can result in photochemical
transformations in the environment (Harris,
1982a). Although the absorption of UV light in the
290-750 nm range is necessary, it is not always
sufficient for a chemical to undergo photochemical
degradation. Energy may be re-emitted from an
excited molecule by mechanisms other than chemical
transformation, resulting in no change to the
parent molecule.

242 UNEP PUBLICATIONS


OECD SIDS OCTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25377-83-7
DATE: 28.04.2005

A conservative approach to estimating a


photochemical degradation rate is to assume that
degradation will occur in proportion to the amount
of light wavelengths >290 nm absorbed by the
molecule (Zepp and Cline, 1977).

Olefins with one double bond, such as the


chemicals in the Higher Olefins category, do not
absorb appreciable light energy above 290 nm. The
absorption of UV light to cause cis-trans
isomerization about the double bond of an olefin
occurs only if it is in conjugation with an
aromatic ring (Harris, 1982a).

Products in the Higher Olefins Category do not


contain component molecules that will undergo
direct photolysis. Therefore, this fate process
will not contribute to a measurable degradative
removal of chemical components in this category
from the environment.

Reliability: Not applicable

References: Harris J C (1982a). Rate of Aqueous


Photolysis. Chapter 8 in: W. J. Lyman, W. F.
Reehl, and D. H. Rosenblatt, eds., Handbook of
Chemical Property Estimation Methods, McGraw-Hill
Book Company, New York, USA.

Zepp, R. G. and D. M. Cline (1977). Rates of


Direct Photolysis in the Aqueous Environment,
Environ. Sci. Technol., 11:359-366.

(2) Test Substance

Identity: CAS No. 25377-83-7, Octene

Method

Method/
guideline followed: Calculated values using AOPWIN version 1.90,
a subroutine of the computer program EIPWIN
version 3.10 which uses a program described by
Meylan and Howard (1993). Program used the
structure for 1-octene.

Type: air
GLP: Not applicable
Year: Not applicable

Results

Indirect photolysis

Sensitiser (type): OH
Rate Constant: 33.0041 E-12 cm3/molecule-sec
Degradation % after: 50% after 3.889 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3)

UNEP PUBLICATIONS 243


OECD SIDS OCTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25377-83-7
DATE: 28.04.2005
Sensitiser (type): Ozone
Rate Constant: 1.2 E-17 cm3/molecule-sec
Degradation % after: 50% after 22.920 hrs (using avg. ozone conc.
of 7 E11 mol/cm3)

Reliability: (2) Reliable with restrictions. The value was


calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.

Flag: Critical study for SIDS endpoint

References: Meylan, W.M. and Howard, P.H. (1993) Computer


estimation of the atmospheric gas-phase reaction
rate of organic compounds with hydroxyl radicals
and ozone. Chemosphere 26: 2293-99

EPIWIN (2000a) Estimation Program Interface for


Windows, version 3.10. Syracuse Research
Corporation, Syracuse, NY. USA.

B. Stability in Water

Test Substance

Identity: CAS No. 25377-83-7, Octene

Method

Method/
guideline followed: Other – Technical Discussion
Type (test type):
GLP: Yes [ ] No[ ]
Year:

Test Conditions: Not applicable

Results: Not applicable

Remarks: Hydrolysis of an organic molecule occurs when a molecule


(R-X) reacts with water (H2O) to form a new carbon-
oxygen bond after the carbon-X bond is cleaved (Gould,
1959; Harris, 1982b). Mechanistically, this reaction is
referred to as a nucleophilic substitution reaction,
where X is the leaving group being replaced by the
incoming nucleophilic oxygen from the water molecule.

The leaving group, X, must be a molecule other than


carbon because for hydrolysis to occur, the R-X bond
cannot be a carbon-carbon bond. The carbon atom lacks
sufficient electronegativity to be a good leaving group
and carbon-carbon bonds are too stable (high bond
energy) to be cleaved by nucleophilic substitution.
Thus, hydrocarbons, including alkenes, are not subject
to hydrolysis (Harris, 1982b) and this fate process will
not contribute to the degradative loss of chemical
components in this category from the environment.

244 UNEP PUBLICATIONS


OECD SIDS OCTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25377-83-7
DATE: 28.04.2005
Under strongly acidic conditions the carbon-carbon
double bond found in alkenes, such as those in the
Higher Olefins Category, will react with water by an
addition reaction mechanism (Gould, 1959). The reaction
product is an alcohol. This reaction is not considered
to be hydrolysis because the carbon-carbon linkage is
not cleaved and because the reaction is freely
reversible (Harris, 1982b). Substances that have a
potential to hydrolyze include alkyl halides, amides,
carbamates, carboxylic acid esters and lactones,
epoxides, phosphate esters, and sulfonic acid esters
(Neely, 1985).

The substances in the Higher Olefins Category are


primarily olefins that contain at least one double bond
(alkenes). The remaining chemicals are saturated
hydrocarbons (alkanes). These two groups of chemicals
contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic
mechanism discussed above. Therefore, chemicals in the
Higher Olefins Category have a very low potential to
hydrolyze, and this degradative process will not
contribute to their removal in the environment.

Conclusions: In the environment, hydrolysis will not contribute to


the degradation of octene.

Reliability: Not applicable

References: Gould, E.S. (1959) Mechanism and Structure in Organic


Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.

Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in:


W.J. Lyman, W.F. Reehl, and D.H. Rosenblatt, eds.,
Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.

Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G.


E. Blau, eds. Environmental Exposure from Chemicals. Vol
I., pp. 157-173. CRC Press, Boca Raton, FL, USA.

C. Stability In Soil

No data available

3.2 Monitoring Data (Environment)

No data available.

3.3 Transport and Distribution

3.3.1 Transport between environmental compartments

A. Test Substance

Identity: CAS No. 25377-83-7, Octene

UNEP PUBLICATIONS 245


OECD SIDS OCTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25377-83-7
DATE: 28.04.2005
Method

Type: Fugacity models, Mackay Levels I and III

Remarks: Trent University model used for calculations. Half-lives in


water, soil and sediment estimated using EPIWIN (EPIWIN,
2000b)

Chemical assumptions:

Molecular weight: 112


Water solubility: 4.1 g/m3
Vapor pressure: 2320 Pa (25°C)
Log Kow: 4.57
Melting point: -109°C
Environment name: EQC Standard Environment

Half-life in air = 6.3 hr, half-life in water = 360 hr, half-


life in soil = 360 hr, half-life in sediment = 1440 hr

All other parameters were default values. Emissions for Level


I = 1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).

Results Media: Air, soil, water and sediment concentrations were


estimated

Level I Level III


Air 100% 7.4%
Water <1% 69.2%
Soil <1% 17.4%
Sediment <1% 5.9%

Remarks: Since default assumptions for release estimates were used,


resulting environmental concentrations are not provided.

Conclusions: These results indicated that octene will partition


primarily to air under equilibrium conditions (Level I model),
but primarily to water under the assumed pattern of chemical
release (equal loading of water, soil and air) in the Level
III model.

Reliability: (2) Valid with restrictions: Data are calculated.

Flag: Critical study for SIDS endpoint

References: Trent University (2004). Level I Fugacity-based Environmental


Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version
2.80.1.). Environmental Modeling Centre, Trent University,
Peterborough, Ontario. (Available at
http://www.trentu.ca/cemc)

EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

246 UNEP PUBLICATIONS


OECD SIDS OCTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25377-83-7
DATE: 28.04.2005
B. Test Substance

Identity: CAS No. 25377-83-7, Octene

Method

Type: Volatilization from water

Remarks: Calculated using the computer program EPIWIN version


3.10, using a
Henry’s Law Constant of 0.627 atm-m3/mole (HENRYWIN
experimental database) and EPIWIN default values

Results: Half-life from a model river: 1.082 hrs


Half-life from a model lake: 4.2 days

Reliability: (2) Valid with restrictions. Values are


calculated.

References: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10 Syracuse Research Corporation, Syracuse,
NY. USA.

3.3.2 Distribution

A. Test Substance

Identity: CAS No. 25377-83-7, Octene

Method

Method: Adsorption Coefficient (Koc) calculated value using the


computer program EPIWIN, PCKOC v 1.66, based on the
method of Meylan et al., 1992.

Test Conditions: Based on chemical structure. Program used the structure


for 1-octene.

Results

Value: Estimated Koc = 506.7

Reliability: (2) Reliable with restrictions. Value is calculated.

Reference: Meylan, W., P.H. Howard and R.S. Boethling (1992)


Molecular topology/fragment contribution method for
predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

B. Test Substance

Identity: CAS No. 25377-83-7, Octene

Method

UNEP PUBLICATIONS 247


OECD SIDS OCTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25377-83-7
DATE: 28.04.2005
Method: Henry’s Law Constant calculated value using the computer
program EPIWIN, HENRYWIN v 3.10

Test Conditions: Bond and Group estimates based on chemical structure, at


25°C; VP/water solubility estimates based on EPIWIN
values of VP = 16.5mm Hg and WS = 3.88 mg/L. Program
used the structure for 1-octene.

Results

Value: Bond estimate = 0.632 atm-m3/mole


Group estimate = 1.07 atm-m3/mole
VP/Wsol estimate = 0.667 atm-m3/mole

Reliability: (2) Reliable with restrictions. Values are calculated.

Reference: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

3.4 Aerobic Biodegradation

A. TEST SUBSTANCE

Identity: CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich

Method

Method/guideline: OECD 301F, Ready Biodegradability, Manometric


Respirometry Test
Type: Aerobic [X ] Anaerobic [ ]
GLP: Yes
Year: 1995
Contact time: 28 days
Inoculum: Domestic activated sludge

Test Conditions: Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride).

Test vessels were 1L glass flasks placed in a waterbath


and electronically monitored for oxygen consumption.

Test material was tested in triplicate, controls and


blanks were tested in duplicate. Test material loading
was approximately 32 mg/L. [Reason for using 32 mg/L
instead of 100 mg/L: Substances such as this test
material typically have ThODs between 2 and 3 mg per mg
substance. Thus, the test material concentration was
adjusted for a target of 100 mg THOD/L] Sodium benzoate
(positive control) concentration was approximately 44
mg/L. Test temperature was 22 +/- 1 Deg C.

All test vessels were stirred constantly for 28 days


using magnetic stir bars and plates.

248 UNEP PUBLICATIONS


OECD SIDS OCTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25377-83-7
DATE: 28.04.2005

Results: Approximately 29% biodegradation of the test material


was measured on day 28. Approximately 10% biodegradation
was achieved on day 17.

By day 14, >60% biodegradation of the positive control


was measured, which meets the guideline requirement. No
excursions from the protocol were noted.

Biodegradation was based on oxygen consumption and the


theoretical oxygen demand of the test material as
calculated using results of an elemental analysis of the
test material.

% Degradation* Mean %
Degradation
Sample (day 28) (day 28)
Test Material 44.1, 28.6, 15.0 29.2
Na Benzoate 98.9, 95.5 97.2

* replicate data

Reliability: (2) Reliable with restrictions: The range in


biodegradation values is not
less than 20% as required in the OECD test guideline.

Flag: Key study for SIDS endpoint

Reference: Exxon Biomedical Sciences, Inc. (1997) Alkenes, C7-9,


C8 Rich: Ready Biodegradability: OECD 301F Manometric
Respirometry. Study #119194A. Exxon Biomedical Sciences,
Inc., East Millstone, NJ, USA (unpublished report).

B. TEST SUBSTANCE

Identity: CAS No. 111-66-0, 1-Octene

Method

Method/guideline: 28-Day Ready Biodegradability, closed bottle


Sturm, CO2
Type: Aerobic [X ] Anaerobic [ ]
GLP: No
Year: 1985
Contact time: 28 days
Inoculum: Pseudomonas fluorescens

Test Conditions: Test medium was water. No other details available.

Results: 41-42% biodegradation after 28 days

Reliability: (4) Not assignable. The source of the report is


reliable, but details of the test conditions and results
are not available.

Reference: Adema, D.M.M., and Bakker, G.H. (1985) (unpublished


report). [no further information is available]

UNEP PUBLICATIONS 249


OECD SIDS OCTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25377-83-7
DATE: 28.04.2005
Other: This study was included in the dossier for 1-octene at
SIAM 11.

C. Test Substance

Identity: CAS No. 25377-83-7, Octene

Method

Method/guideline: Estimated using the computer program EPIWIN v


3.10, BIOWIN v 4.00

Type: Aerobic

Test Conditions: Estimates use methods described by Howard et al., 1992;


Boethling et al., 1994; and Tunkel et al., 2000.
Estimates are based upon fragment constants that were
developed using multiple linear and non-linear
regression analyses.

Results: Linear model prediction: Biodegrades fast


Non-linear model prediction: Biodegrades fast
Ultimate biodegradation timeframe: Weeks
Primary biodegradation timeframe: Days
MITI linear model prediction: Biodegrades fast
MITI non-linear model prediction: Biodegrades fast

Reliability: 2) Reliable with restriction: Results are estimated

Reference: Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J.


Beaumann and N. Tirado (1994) Group contribution method
for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.

Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M.


Meylan, A.E. Hueber, J.A. Beauman and M.E. Larosche
(1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data.
Environ. Toxicol. Chem. 11:593-603.

Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and


H. Loonen (2000) Predicting ready biodegradability in
the MITI Test. Environ. Toxicol. Chem. (accepted for
publication)

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

3.7 BOD5, COD or ratio BOD5/COD

No data available

3.6 Bioaccumulation

Test Substance

250 UNEP PUBLICATIONS


OECD SIDS OCTENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25377-83-7
DATE: 28.04.2005

Identity: CAS No. 25377-83-7, Octene

Method

Method: BCF calculated value using the computer program EPIWIN, BCF v
2.14

Test Conditions: Based on chemical structure and a Log Kow of 4.57


(experimental data from EPIWIN database) using methods
described by Meylan et al., 1999. Formula used to make BCF
estimate: Log BCF = 0.77 log Kow – 0.70 with no correction
factor.

Results

Value: Estimated Log BCF = 2.819 (BCF = 659)

Reliability: (2) Reliable with restrictions. Value is calculated.

Reference: Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved


method for estimating bioconcentration / bioaccumulation
factor from octanol/water partition coefficient. Environ.
Toxicol. Chem. 18(4): 664-672

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse, NY.
USA.

3.7 Additional Information

A. Sewage Treatment

Test Substance

Identity: CAS No. 25377-83-7, Octene

Test Method: Calculated, EPIWIN STP Fugacity Model, predicted fate in


a wastewater treatment facility.
Input values: MW = 112.22; Henry’s LC = 0.627 atm-m3/mol; air-
water partition coefficient = 25.6424; Log Kow = 4.57;
biomass to water partition coefficient = 7431.51;
temperature = 25°C
GLP: No
Test Medium: Secondary waste water treatment (water)
Test Type: Aerobic

Test Results: 99.70 % removed from wastewater treatment

Reference: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

UNEP PUBLICATIONS 251


OECD SIDS OCTENE
4. ECOTOXICITY ID: 25377-83-7
DATE: 28.04.2005
4.1 Acute Toxicity to Fish

A. Test Substance

Identity: CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich

Method

Method/guideline: OECD 203


Test type: Semi-static Fish Acute Toxicity Test
GLP: Yes [X ] No [ ]
Year: 1995
Species/Strain: Rainbow Trout (Oncorhynchus mykiss)
Analytical Monitoring: Yes
Exposure period: 96 hours
Statistical methods: Trimmed Spearman-Karber Method (Hamilton, M.A. et
al. 1977. Trimmed Spearman-Karber Method for Estimating
Median Lethal Concentration in Toxicity Bioassays.
Environ. Sci. Technol. 11:714-719.)

Test Conditions: Each test solution was prepared by adding the test
substance, via syringe, to 19.5 L of laboratory blend
water in 20 L glass carboys. The solutions were mixed
for 24 hours with a vortex of <10%. Mixing was performed
using a magnetic stir plate and Teflon coated stir bar
at room temperature (approximately 22C). After mixing,
the solutions were allowed to settle for one hour after
which the Water Accommodated Fraction (WAF) was siphoned
from the bottom of the mixing vessel through a siphon
that was placed in the carboy prior to adding the test
material. Test vessels were 4.0 L aspirator bottles that
contained approximately 4.5 L of test solution. Each
vessel was sealed with no headspace after 4 fish were
added. Three replicates of each test material loading
were prepared. Approximately 80% of each solution was
renewed daily from a freshly prepared WAF.

Test material loading levels included: 2.6, 4.3, 7.2,


12, and 20 mg/L, which measured 0.2, 0.4, 0.7, 1.2, and
2.5 mg/L, respectively, and are based on the mean of
samples taken from the new and old test solutions. A
control containing no test material was included and the
analytical results were below the quantitation limit,
which was 0.2 mg/L.

Water hardness was 174-178 mg/L as CaCO3. Test


temperature was 15C (sd = 0.09). Lighting was 578 to 580
Lux with a 16-hr light and 8-hr dark cycle. Dissolved
oxygen ranged from 8.5 to 10.2 mg/L for "new" solutions
and 6.5 to 8.5 mg/L for "old" solutions. The pH ranged
from 7.0 to 8.8 for "new" solutions and 7.0 to 8.4 for
"old" solutions.

Fish supplied by Thomas Fish Co. Anderson, CA, USA; age


at test initiation = approximately 5 weeks; mean wt. at
test termination = 0.272 g; mean total length at test
termination = 3.5 cm; test loading = 0.24 g of fish/L.
The fish were slightly shorter than the guideline
suggestion of 4.0 to 6.0 cm, which were purposely
selected to help maintain oxygen levels in the closed

252 UNEP PUBLICATIONS


OECD SIDS OCTENE
4. ECOTOXICITY ID: 25377-83-7
DATE: 28.04.2005
system. Fish size had no significant effect on study
outcome.

Results: 96-hour LL50 = 8.9 mg/L (95% CI 9.9 to 13.3 mg/L) based
upon loading rates.
96-hour LC50 = 0.87 mg/L (95% CI 0.79 to 0.96 mg/L)
based upon measured values of old and new solutions.

Analytical method used was Headspace Gas Chromatography


with Flame Ionization Detection (GC-FID).

Loading Measured Fish Total


Rate (mg/L) Conc. (mg/L) Mortality (@96 hrs)*
Control Control 0
2.6 0.2 0
4.3 0.4 0
7.2 0.7 1
12 1.2 12
20 2.5 12

* 12 fish added at test initiation

Reliability: (1) Reliable without restriction

Flag: Key study for SIDS endpoint

References: Exxon Biomedical Sciences, Inc. (1996) Alkenes, C7-9,


C8 Rich: Fish, Acute Toxicity Test. Study #119158. Exxon
Biomedical Sciences, Inc., East Millstone, NJ, USA
(unpublished report).

B. Test Substance

Identity: CAS No. 111-67-1, 2-Octene (trans)

Method

Method/guideline: 96 hour semi-static toxicity test


Test type: semi-static
GLP: No
Year: 1985
Species/Strain: Brachydanio rerio (zebra fish)
Analytical Monitoring: No
Exposure period: 96 hr
Statistical methods: The LL50 values were calculated by means of a
parametric model developed by Kooijman [Kooijman,
S.A.L.M. (1981) Parametric analyses of mortality rates
in bioassays. Water Res. 15:105-119.]

Test Conditions: The test animals were 4-6 weeks old, 3 + 1 cm,
born and grown in the laboratory in fresh-water.
Necessary amounts of test material were added to 2 L
fresh water (pH ~8, hardness ~210 mg CaCO3 per liter) in
glass stoppered conical flasks and stirred for 4 hr
before adding test animals (10/ flask). Test
conditions: 24°C; no aeration, food, or replicate; test
medium renewed daily. At none of the dose levels was
test substance visible during the test period. pH and
oxygen were monitored. The target for oxygen
concentration was 70% of the saturation level. The

UNEP PUBLICATIONS 253


OECD SIDS OCTENE
4. ECOTOXICITY ID: 25377-83-7
DATE: 28.04.2005
concentrations tested: 0, 3.2, 5.6, 10, 18, 32, and 56
mg/L (nominal).

Results: LL50 (24 hr) = 15 mg/L


LL50 (48 hr) = 13 mg/L
LL50 (72 hr) = 8.0 mg/L
LL50 (96 hr) = 7.5 mg/L

NOEC (96 hr) = 3.2 mg/L (nominal)

Remarks: Assessment of condition of test animals compared to the


controls was by visual estimation. The oxygen
concentrations of some of the test solutions were low,
but it was assumed that this did not greatly influence
the test results.

Reliability: (2) Reliable with restrictions. Study does not totally


comply with current testing guidelines. No chemical
analyses were performed.

References: Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity


of compounds that may be carried by ships [MARPOL
1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).

C. Test Substance

Identity: CAS No. 111-66-0, 1-Octene

Method

Method/guideline: 96 hour semi-static toxicity test


Test type: semi-static
GLP: No
Year: 1985
Species/Strain: Brachydanio rerio (zebra fish)
Analytical Monitoring: No
Exposure period: 96 hr
Statistical methods: The LL50 values were calculated by means of a
parametric model developed by Kooijman [Kooijman,
S.A.L.M. (1981) Parametric analyses of mortality rates
in bioassays. Water Res. 15:105-119.]

Test Conditions: The test animals were 4-6 weeks old, 3 + 1 cm,
born and grown in the laboratory in fresh-water.
Necessary amounts of test material were added to 1 L
fresh water (pH ~8, hardness ~210 mg CaCO3 per liter) in
glass stoppered conical flasks and stirred for 4 hr
before adding test animals (10/ flask). Test
conditions: 24°C; no aeration, food, or replicate; test
medium renewed daily. At none of the dose levels was
test substance visible during the test period. pH and
oxygen were monitored. During the test, the oxygen
concentration was >70% of the saturation level. The
concentrations tested: 0, 3.2, 10, and 32 mg/L
(nominal).

Results: LL50 (24 hr) = >3.2 <10 mg/L


LL50 (48 hr) = >3.2 <10 mg/L
LL50 (72 hr) = >3.2 <10 mg/L

254 UNEP PUBLICATIONS


OECD SIDS OCTENE
4. ECOTOXICITY ID: 25377-83-7
DATE: 28.04.2005
LL50 (96 hr) = >3.2 <10 mg/L (estimated to be about 6
mg/L)

NOEC (96 hr) = 3.2 mg/L (nominal)

Remarks: Assessment of condition of test animals compared to the


controls was by visual estimation.

Reliability: (2) Reliable with restrictions. Study does not totally


comply with current testing guidelines. No chemical
analyses were performed.

References: Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity


of compounds that may be carried by ships [MARPOL
1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).

Other: This study was included in the dossier for 1-octene at


SIAM 11. Additional information has been added.

4.2 Acute Toxicity to Aquatic Invertebrates (e.g. Daphnia)

A. Test Substance

Identity: CAS No. 111-67-1, 2-Octene (trans)

Method

Method/guideline: 48-hr static toxicity test


Test type: Static
GLP: No
Year: 1985
Analytical Monitoring: No
Species/Strain: Daphnia magna
Exposure period: 48 hrs
Statistical methods: The EL50 values were calculated by means of a
parametric model developed by Kooijman [Kooijman,
S.A.L.M. (1981) Parametric analyses of mortality rates
in bioassays. Water Res. 15:105-119.]

Test Conditions: Test media were prepared by adding test material


to 500 ml of fresh water (pH ~8, hardness ~210 mg CaCO3
per liter) in a glass-stoppered conical flask and
stirring for 4 hr before adding test animals (25/
flask). Test conditions: 20 °C; no aeration, food,
replicate or media renewal. The test animals were less
than 24 hr old at the start of the test, from a
laboratory culture in standard fresh water. At none of
the dose levels was test substance visible during the
test period. pH and oxygen were monitored. During the
test, the oxygen concentration was >70% of the
saturation level. The concentrations tested: 0, 3.2, 10,
and 32 mg/L (nominal).

Results: EL50 (48 hr) = >3.2<10 mg/L (estimated to be about 6);


NOEC (48 hr) = 3.2 mg/L (nominal)
Remarks: Assessment of condition of test animals compared to
controls was by visual estimation.

UNEP PUBLICATIONS 255


OECD SIDS OCTENE
4. ECOTOXICITY ID: 25377-83-7
DATE: 28.04.2005

Reliability: (2) Reliable with restrictions. Study does not totally


comply with current testing guidelines. No chemical
analyses were performed.

Flag: Key study for SIDS endpoint

References: Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity


of compounds that may be carried by ships [MARPOL
1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).

B. Test Substance

Identity: CAS No. 111-66-0, 1-Octene

Method

Method/guideline: 48-hr static toxicity test


Test type: Static
GLP: No
Year: 1985
Analytical Monitoring: No
Species/Strain: Daphnia magna
Exposure period: 48 hrs
Statistical methods: The EL50 values were calculated by means of a
parametric model developed by Kooijman [Kooijman,
S.A.L.M. (1981) Parametric analyses of mortality rates
in bioassays. Water Res. 15:105-119.]

Test Conditions: Test media were prepared by adding test material


to 500 ml of fresh water (pH ~8, hardness ~210 mg CaCO3
per liter) in a glass-stoppered conical flask and
stirring for 4 hr before adding test animals (25/
flask). Test conditions: 20 °C; no aeration, food,
replicate or media renewal. The test animals were less
than 24 hr old at the start of the test, from a
laboratory culture in standard fresh water. At none of
the dose levels was test substance visible during the
test period. pH and oxygen were monitored. During the
test, the oxygen concentration was >70% of the
saturation level. The concentrations tested: 0, 1.0,
3.2, and 10 mg/L (nominal).

Results: EL50 (48 hr) = >3.2<10 mg/L (estimated to be about 6);


NOEC (48 hr) = 3.2 mg/L (nominal)
Remarks: Assessment of condition of test animals compared to
controls was by visual estimation.

Reliability: (2) Reliable with restrictions. Study does not totally


comply with current testing guidelines. No chemical
analyses were performed.

References: Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity


of compounds that may be carried by ships [MARPOL
1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).

256 UNEP PUBLICATIONS


OECD SIDS OCTENE
4. ECOTOXICITY ID: 25377-83-7
DATE: 28.04.2005
Flag: Key study for SIDS endpoint

Other: This study was included in the dossier for 1-octene at


SIAM 11. Additional information has been added.

4.3 Toxicity to Aquatic Plants (e.g. Algae)

No data available.

4.4 Toxicity to Micro-organisms, e.g. Bacteria

Test Substance

Identity: CAS No. 592-41-6, 1-Hexene; CAS No. 111-66-0, 1-Octene; CAS
No. 872-05-9, 1-Decene; CAS No. 1120-36-1, 1-Tetradecene
(Analytical Grade)

Method

Method : Acute static bioassay


GLP: No
Type: Aquatic
Species: Thirteen marine bacteria
Exposure Period: 16 hours
Analytical Monitoring: No data

Test Conditions: Water samples collected from Cleveland and Victoria


Point on the Brisbane coast, southeastern Queensland,
Australia, were cultured on marine salts medium solidified
with 1.5% agar. Thirteen different marine bacteria were
isolated and transferred to new media. This culture was
maintained at 30°C and subcultured weekly. The test articles
were dissolved in ethanol and added to media (maximum 0.1 ml
in 50 ml). 0.1 mg of bacterial culture containing 8 x 1010
bacteria per ml was added. Each experiment was performed in
triplicate. Controls consisting of bacteria inoculated into
the medium, without test compounds, both with and without
ethanol were run simultaneously. Absorbance at 600 nm was
determined, followed by incubation without shaking at 30°C.
After 16 hours, the absorbance was remeasured and the
differences were calculated and expressed as a percentage of
the difference in absorbance of the control. These data were
then converted to Probit units and least-squares linear
regression equation against toxicant concentration was
obtained. From these regression equations, the effective
concentration of the test compound that inhibits bacterial
growth by 50 and /or 10% (EC50 and EC10, respectively) was
determined.

Results: Only 1-hexene exerted a toxic effect [log EC10 = -0.49];


however, the calculated log EC50 was 0.46, indicating a value
>100% saturation in sea water. The other 1-alkenes were not
toxic up to levels of 100% saturation.

Reliability: (1) Reliable without restrictions

UNEP PUBLICATIONS 257


OECD SIDS OCTENE
4. ECOTOXICITY ID: 25377-83-7
DATE: 28.04.2005
Reference: Warne, M. St. J. Connell, D.W., Hawker, D. W., and G.
Schuurmann (1989) Quantitative Structure-Activity
Relationships for the Toxicity of Selected Shale Oil
Components to Mixed Marine Bacteria. Ecotoxicology and
Environmental Safety, 17: 133-148.

Other: This study was included in the dossiers for 1-hexene and 1-
tetradecene at SIAM 11. Additional information has been added.

4.5 Chronic Toxicity to Aquatic Organisms

A. Chronic Toxicity to Fish

Test Substance: CAS No. 25377-83-7, Octene

Method/Guideline:

Type (test type): 30-day Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000b)

Species: Fish

Test Conditions: The program uses structure-activity relationships (SARs)


to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 4.13, which was estimated by EPIWIN using the
structure for 1-octene.

Results:

Units/Value: Estimated 30-day ChV = 150 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is calculated


data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

B. Chronic Toxicity to Aquatic Invertebrates

Test Substance: CAS No. 25377-83-7, Octene

Method/Guideline:

258 UNEP PUBLICATIONS


OECD SIDS OCTENE
4. ECOTOXICITY ID: 25377-83-7
DATE: 28.04.2005
Type (test type): 16-day EC50 value calculated using the computer program
ECOSAR, version 0.99g included in the EPI Suite
software, v 3.11 (EPIWIN, 2000b)

Species: Daphnia magna

Test Conditions: The program uses structure-activity relationships (SARs)


to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 4.13, which was estimated by EPIWIN using the
structure for 1-octene.

Results:

Units/Value: Estimated 16-day EC50 = 134 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is calculated


data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

4.6 Toxicity to Terrestrial Organisms

A. Toxicity to Terrestrial Plants.

Test Substance: CAS No. 25377-83-7, Octene

Method/Guideline:

Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000b)

Species: Green algae

Test Conditions: The program uses structure-activity relationships (SARs)


to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow

UNEP PUBLICATIONS 259


OECD SIDS OCTENE
4. ECOTOXICITY ID: 25377-83-7
DATE: 28.04.2005
value of 4.13, which was estimated by EPIWIN using the
structure for 1-octene.

Results:

Units/Value: Estimated 96-hr ChV = 249 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is calculated


data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

B. Toxicity to Soil Dwelling Organisms.

No data available

C. Toxicity to Other Non Mammalian Terrestrial Species (including Avian)

No data available

4.7 Biological Effects Monitoring (including Biomagnification)

No data available

4.8 Biotransformation and Kinetics

No data available

4.9 Additional Information

No data available

260 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
5.1 Toxicokinetics, Metabolism and Distribution

A. Test Substance: CAS No. 111-66-0, 1-Octene; CAS No. 14850-23-8, trans-
n-4-Octene;
CAS No. 816-79-5, 3-Ethyl-2-Pentene (tested
individually)

Method Non-standard
Test Type in-vitro
GLP No data
Year No data

Method: Homogenized rat liver was incubated with olefins and


metabolites were quantified using gas-liquid and thin
layer cochromatography. Various experiments were
conducted with and without NADPH and epoxide hydrolase
inhibitors.

Test Conditions: Livers of male Sprague-Dawley rats, weighing 180-200 g


were homogenized at 4°C in 2 volumes of isotonic KCl.
For all experiments, the aliquots were equivalent to 2 g
of liver. For quantification of metabolites, the
reaction mixture was extracted with ether, the ether
layer was removed and evaporated, the residue was
dissolved in acetone and aliquots were analyzed in a
model 5000 Barber-Colman gas chromatograph equipped with
an ionization detector. With each olefin, the identities
of the epoxide and glycol metabolites were checked by
both gas-liquid and thin layer cochromatography.

Enzymatic oxidation of olefins experiments: Mixtures of


10 µmoles of olefin dissolved in ethanol, NADPH-enriched
9000 x g supernatant of 2 g liver and standard cofactors
and phosphate buffer were incubated for 60 minutes at
37°C.

Effect of epoxide hydrolase inhibitor on metabolism of


n-1-octene: 10 µmoles olefin in ethanol added to the
incubation mixture described above. The medium contained
the NADPH-generating system and the epoxide hydrolase
inhibitor ( 2 x 10-2 M 4,5-epoxy-n-octane). Incubation
time was 30 min.

Effect of the epoxide metabolite 1,2-epoxy-n-octane on


the metabolism of n-4-octene: n-4-octene was incubated
with 20 mM 1,2-epoxy-n-octane under the conditions
described.

Results: In the presence of rat liver microsomes and NADPH, n-1-


octene, n-4-octene and 3-ethyl-2-pentene were converted
to the glycols with no trace of epoxide. The relative
yields of the glycols from 10 µmoles of the olefins
(11.3%, 4.0%, 0.12%) indicate that increasing
substitution of the ethylenic moiety by alkyl groups
decreases the rate of the reaction. In the presence of
4,5-epoxy-n-octane, the product from 10 µmoles n-1-
octene contained both 1,2-epoxy-n-octane (0.40 µmoles)
and n-octane-1,2-diol (0.23 µmoles), whereas in the
absence of the inhibitor, only the glycol (0.64 µmoles)
could be detected. Thus, the inhibition of glycol

UNEP PUBLICATIONS 261


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
formation was 64%. In the presence of 1,2-epoxy-n-
octane, the substrate n-4-octene produced the epoxide
but not the glycol. The quantity of 4,5-epoxy-n-octane
produced was approximately equivalent to the amount of
glycol formed in the absence of the inhibitor. The
authors concluded that it is likely that the biological
conversion of the alkenes proceeds through epoxides.

Reliability: (1) Reliable without restrictions

Reference: Maynert, E.W., Foreman, R.L., and Watabe, T. (1970)


Epoxides as olbigatory intermediates in the metabolism
of olefins to glycols. J. Biological Chemistry 245(20):
5324-5238.

Other: This study was cited in the dossier for 1-octene at SIAM
11.

B. Test Substance: CAS No. 111-66-0, 1-Octene

Method
Test Type: In vivo
GLP No data available
Year 1995

Method: Some olefins have been shown to be metabolized to


epoxides. For example, ethylene and propylene have been
shown to be metabolized to their corresponding oxides by
the presence in animals of the corresponding hemoglobin
and DNA adducts. Absorption, distribution, elimination
and hemoglobin and DNA adduct formation were studied in
the rat after inhalation of individual C2 - C8 1-alkenes
[including 1-octene] at 300 ppm, 12 hr /day for 3
consecutive days. Concentrations of olefins were
measured in blood, lung, brain, liver, kidney and
perirenal fat immediately after each exposure and 12 h
after the third exposure.

Results: Concentrations of olefins reached steady state levels


after the first 12 hr of exposure, and the
concentrations 12 hr after the last exposure were
generally low, except in the fat. Concentrations of 1-
alkenes in blood and tissues increased with increasing
number of carbon atoms. In contrast, levels of
hemoglobin and DNA adducts decreased with increasing
number of carbon atoms. The decrease was most
pronounced from C2 to C3.

262 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
Concentrations of individual 1-alkenes after the third
daily 12 hr exposure to 300 ppm and concentrations in
fat 12 hr after the third exposure (n=4). All
concentrations are in µmol/kg; nd = not detectable
(detection limits not provided)
Chemical Blood Liver Lung Brain Kidneys Fat Fat 12 hr
after 3rd
exposure
Ethene 0.3 0.4 2.3 0.7 0.7 7 nd
Propene 1.1 0.3 2.9 1.7 1.8 36 nd
1-Butene 1.9 0.8 4.9 3.0 5.7 70 0.3
1-Pentene 8.6 51.6 31.4 41.0 105.7 368 19
1-Hexene 18.2 66.8 59.7 59.7 188.0 1031 77
1-Heptene 37.0 138.3 85.6 109.3 269.3 2598 293
1-Octene 60.1 443.7 202.4 270.0 385.1 4621 943

Remarks: The increased retention in fat of 1-alkenes with higher


carbon numbers is presumably a function of their
increased lipophilicity, and decreased likelihood to be
exhaled unchanged, compared to the lower volatile 1-
alkenes. Since unchanged 1-alkenes are not considered
to be toxic, and because tissue levels rapidly cleared
after exposure ceased, this concentration, especially in
fat tissues, is unlikely to have any biological effect.
An implication of the metabolic formation of an epoxide,
as determined by hemoglobin and DNA adducts, is that
the 1-alkenes are likely to be genotoxic. However
ethylene, which formed these adducts to a much greater
extent than the higher homologs, has been specifically
investigated in lifetime animal cancer bioassays at
concentrations up to 3000 ppm, and determined to be
negative [Hamm, T.E. Jr., Guest, D, and Dent, J.G.
(1984) Fundam. Appl. Toxicol. 4(3 Pt 1):473-8]. It is
highly unlikely that the higher homologs, including 1-
octene, will be genotoxic or carcinogenic under these
conditions.

Reliability: (1) Reliable without restrictions.

Reference: Eide, I., R. Hagerman, K. Zahlsen, E. Tareke, M.


Tornquist, R. Kumar, P. Vodicka and K. Hemminki (1995)
Uptake, distribution, and formation of hemoglobin and
DNA adducts after inhalation of C2-C8 1-alkenes
[olefins] in the rat. Carcinogenesis. 16, 1603 - 1609.

Other: This study was included in the dossier for 1-hexene at


SIAM 11. As the study also included 1-octene, the
summary is included in this dossier. Additional
information has been added.

C. Test Substance: CAS No. 111-66-0, 1-Octene, >99%; CAS No. 124-11-8, 1-
Nonene,
>99%; CAS No. 872-05-9, 1-Decene, >98% (tested
individually)

UNEP PUBLICATIONS 263


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005

Method Non-standard
Test Type in-vivo
GLP No data
Year No data

Method: Animals were exposed via inhalation to individual


hydrocarbons in 6 separate experiments with equal design
except for the choice of test substance. Animals were
killed by decapitation, and blood and organ samples were
obtained within 3 minutes after removal of an animal
from the chamber. Food and water were available ad
libitum except during exposure. Dynamic exposure of the
animals was performed in 0.7 m3 steel chambers.
Temperature and humidity were kept within 23±1°C and
70±20% RH, respectively. The aimed concentration of 100
ppm was maintained by mixing a controlled stream of air
saturated with the test substance under a constant
temperature and flow with the main stream of dust
filtered air (5 m3/hr) before entering at the top of the
chamber. The concentration of hydrocarbons in the
chambers was monitored by on-line gas chromatography at
15 minute intervals. The concentration of hydrocarbons
in tissues was determined by headspace gas
chromatography. Two ml of blood or organ homogenate (or
0.25 g perirenal fat tissue) was equilibrated in 15 ml
headspace vials for 1 hr at 37 or 60 °C together with
calibration samples and blanks. 0.5 ml was taken from
the headspace by prewarmed gas tight syringe and
injected into a Shimadzu GC 9A gas chromatograph (FID).
Separation was performed on a 2 m x 1/8” stainless steel
column packed with GP 10% SP-2100 on Supelcoport 100/120
mesh with nitrogen as carrier gas. In blood, the
calibration curves covered a range from 0.5 – 100
µmol/kg, in organs from 1 – 500 µmol/kg and in fat from
5 – 10000 µmol/kg. In blood and organs, the detection
limits generally were within the range from 0.1 to 1
µmol/kg; in fat from 1 to 10 µmol/kg.

Test Conditions:

Species: Rat

Strain: Sprague-Dawley

Sex: Male

Age: No data

Bodyweight: 150 – 200 g at start of each experiment

Number of Animals: 4 per exposure

Route: Inhalation

Dose(s) used: 100 ppm for 3 days, 12 hr/day

Statistical Methods: None reported

Actual Dose(s): For the 3 days exposure period, the mean chamber
concentration was 99.3 ppm

264 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005

Body Fluids Sampled: Blood sampled at days 1, 2, and 3, immediately


after exposure and 12 hr after exposure on day 3

Tissues Sampled: Brain, liver, kidney, fat; sampled at days 1, 2, and 3,


immediately after exposure and 12 hr after exposure on
day 3

Results: No systematic increase or decrease in biological


concentrations was observed during the exposure period
except for fat. With the exception for the kidney, the
concentration increased with increasing number of carbon
atoms within each structure group. The organ
concentrations generally exceeded blood by factors
ranging from 3 to 10.The C9 and C10 1-alkenes showed an
increased accumulation in fat during the 3 days exposure
period, in contrast to the C8 1-alkene, where a
saturation seemed to occur. In fat, the concentrations
of all hydrocarbons were 4-20 times the concentrations
found in other organs. The 1-alkenes demonstrated high
concentrations in fat 12 hr after exposure. After the
recovery period, these concentrations were 31, 46, and
66% for C8, C9 and C10 1-alkenes, respectively, of the
concentrations on day 3.

Concentrations of individual 1-alkenes after the third daily 12 hr


exposure to 100 ppm and after 12 hr recovery (n=4)
1-Octene 1-Nonene 1-Decene
After After 12 After After 12 After After 12
third hr third hr third hr
exposure recovery exposure recovery exposure recovery
Blood 12.4 0.1 15.9 0.4 16.4 0.7
Brain 69.7 0.5 116.3 2.7 138.1 6.3
Liver 78.9 nd 130.4 1.1 192.8 4.0
Kidney 139.3 0.9 146.7 4.6 162.0 9.3
Fat 720 226 2068 953 2986 1971
a
All concentrations are in µmol/kg; nd = not detectable (limit of
detection varied between substances and organs: in blood and organs
generally within range from 0.1 – 1 µmol/kg; in fat from 5 – 10 µmol/kg)

Reliability: (1) Reliable without restrictions

Reference: Zahlsen, K., I. Eide, A.M. Nilsen and O.G. Nilsen (1993)
Inhalation kinetics of C8 to C10 1-alkenes and iso-
alkanes in the rat after repeated exposures.
Pharmacology & Toxicology 73 :163-168

D. Test Substance: CAS No. 592-76-7, 1-Heptene ; CAS No. 2216-38-8, 2-


Nonene;
CAS No. 592-47-2, 3-Hexene; CAS No. 16746-85-3, 4-Ethyl-
1-Hexene; CAS No. 15870-10-7, 2-Methyl-1-Heptene; CAS

UNEP PUBLICATIONS 265


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
No. 3404-77-13, 3-dimethyl-1-hexene; 3-methyl-1-octene
(tested individually)

Method Non-standard
Test Type in-vitro and in-vivo
GLP No data available
Year Unknown

Method: In-vitro: Incubation of hepatic microsomes from rats in


the presence of alkenes and NADPH with analysis for
presence of cytochrome P-450.

In-vivo: Phenobarbital-treated rats were injected i.p.


with 1-heptene, cis and trans 2-nonene, 4-ethyl-1-
hexene, and 3-methyl-1-octene at a dose of 400 µl/kg.
Four hrs after treatment, animals were sacrificed and
livers were analyzed for the presence of abnormal
hepatic pigments. These pigments have been shown to be
porphyrins derived from the prosthetic heme moiety of
inactivated P-450 enzymes.

Test Conditions:

Results: In vitro: Hepatic microsomal cytochrome P-450 was


destroyed in vitro,

in the presence of NADPH, by 4-ethyl-1-hexene, 3-methyl-


1-octene, and 1-heptene. The cis- and trans-2-nonenes
exhibited marginal destructive activity (10% loss after
30 minutes). No significant cytochrome P-450 loss was
observed after incubation with 2-methyl-1-heptene, 3,3-
dimethyl-1-hexene or 3-hexene, suggesting that steric
and electronic factors can suppress the destructive
interaction. The epoxides of 3 of the terminal olefin
substrates were synthesized and shown not to intervene
in destruction of the enzyme by the parent olefins.

In vivo: Hepatic green pigments were formed after


administration of 4-ethyl-1-hexene, 3-methyl-1-octene
and 1-heptene, indicating destruction of the P-450
enzyme. The cis- and trans-2-nonenes produced no
abnormal pigments.

Reliability: (1) Reliable without restrictions

Reference: Ortiz de Montellano, P.R., and Mico, G.A. (1980)


Destruction of cytochrome P-450 by ethylene and other
olefins. Mol. Pharmacol. 18(1)128-135.

E. Test Substance: n-1-Octene, n-4-Octene, and 3-Ethyl-2-Pentene (tested


individually)

Method Non-standard
Test Type in-vitro
GLP No data
Year No data

Method: n-1-Octene (A) , n-4-Octene (B), and 3-Ethyl-2-Pentene


(C) and the corresponding epoxides and glycols were

266 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
studied systematically in an attempt to detect epoxide
intermediates in the biotransformation of olefins.

Test Conditions:

Results: In the presence of rat liver microsomes and TPNH, all 3


olefins were converted to the glycols with no trace of
epoxides. Treatment of B (1.6 X 10-3M) with microsomes
and TPNH in the presence of the A-epoxide (2 X 10-2M)
yielded B-epoxide without B-glycol. In contrast, A in
the presence of B-epoxide yielded approximately equal
amounts of A-epoxide and A-glycol. C-epoxide was
ineffective in inhibiting the hydrolase. The experiment
involving A-epoxide as a blocking agent indicates that
epoxides are obligatory intermediates in the conversion
of olefins to glycols.

Reliability: (2) Reliable with restrictions: report was an


abstract with limited data.

Reference: Watabe, T. and E.W. Maynert (1968) Role of epoxides in


the metabolism of olefins. Pharmacologist V10(1) :203

5.2 Acute Toxicity

A. Acute oral toxicity

(1) Test Substance

Identity (purity): CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich

Method

Method/guideline: NA
Type (test type): LD50
GLP: Pre-GLP
Year: 1975
Species/Strain: Albino Rat
Sex: Males
No. of animals per
sex per dose: 10

Vehicle: NA
Route of
administration: Oral gavage

Test Conditions: For the purpose of this study, the test material
was considered to be free of impurities. Age of
the test animals was not reported. Body weights
ranged from 166 to 206g at initiation of the study
and from 220 to 260g on Day 7. A single dose of
undiluted test material (5,000 mg/kg) was
administered to male rats (not fasted). Individual
body weights were recorded on Day 0 and Day 7.
Gross necropsy examinations were performed on all
animals that died or were killed. The statistics
used to analyze the data were not reported.

Results:

UNEP PUBLICATIONS 267


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005

Value: LD50 > 5000 mg/kg


Number of deaths
at each dose level: There were no deaths

Remarks: Hypoactivity and diarrhea were noted within 6-22


hours post-oral administration and subsided by the
second post-oral exposure day. There were no
significant findings observed during the gross
necropsy examination. Under the conditions of this
study, Alkenes, C7-9, C8 Rich have a low order of
acute oral toxicity.

Reliability: (1) Reliable without restrictions,


comparable to a guideline study

Flag: Key study for SIDS endpoint.

References: Exxon Research and Engineering Company (1975)


Chemical Hazard Data Sheet on Octenes and Acute
Oral Toxicity Study, Acute Dermal Toxicity Study,
Eye Irritation Toxicity Test and Acute Vapor
Inhalation Toxicity Study (unpublished report).

(2) Test Substance

Identity (purity): CAS No. 111-66-0, 1-Octene (NEODENE 8 Alpha


Olefin)

Method

Method/guideline: Not specified


Type (test type): LD50
GLP: Yes [X ] No [ ]
Year: 1983
Species/Strain: Rat/Fisher 344
Sex: Males and females
No. of animals per
sex per dose: 5 in first test and 10 in confirmation group

Vehicle: None
Route of
administration: oral gavage

Test Conditions: Undiluted NEODENE 8 Alpha Olefin caused no deaths


at volumes of 1.0, 2.5, and 5 ml/kg body weight.
The confirmation dose of 5.0 ml/kg given to 10
animals (5 female, 5 male) caused no deaths.
Statistical analysis of body weights included
calculation of the mean and standard error.
Determination of the significance of body weight
changes on days 7 and 14 compared to controls was
made using an independent T-test. The lethal dose
was not calculated but was found to be greater
than 5.0 ml/kg body weight in the rat.

Results:

268 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
Value: LD50 > 5 ml/kg; >5 g/kg
Number of deaths
at each dose level: No deaths at 5 ml/kg

Remarks: Clinical signs of toxicity occurred at the


5.0 ml/kg dose level. Test animals generally
recovered in 1 to 4 days. Prominent clinical
signs of toxicity included hunched posture,
unsteady stance, tip-toe gait, and hypoactivity.
Less prominent effects included stool with mucus
and polyruia. All remarkable observations at
necropsy are considered to be incidental findings
and not related to treatment with octene.
Observations included clear discharge from the
left eye and incomplete diaphragmatic hernia in
one animal.

Reliability: (1) Reliable without restrictions:


Deviations were limited to environmental
conditions which did not effect the outcome or the
validity of the study.

Flag: Key study for SIDS endpoint

References: Shell Development Company, Westhollow Research


Center (1983) Acute Oral Toxicity of NEODENE 8
Alpha Olefin in the Rat. (unpublished report).

Other: This study was included in the dossier for 1-octene


at SIAM 11. Additional information has been added.

B. ACUTE INHALATION TOXICITY

(1) Test Substance

Identity (purity): CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich

Method

Method/guideline: NA
Type (test type): Inhalation LC50
GLP: Pre-GLP
Year: 1977
Species/Strain: Albino Mice, Rats, and Guinea Pigs
Sex: Males
No. of animals
per sex: 10/species

Vehicle: None
Route of
administration: Inhalation (vapor )

Test Conditions: For the purpose of this study, the test material
was considered to be free of impurities. Age of
animals was not reported. Animals were given
single doses of test substance vapor at a
concentration of 31.67 mg/L (6900 ppm) for 6 h.

UNEP PUBLICATIONS 269


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
The exposure was conducted in a 100-liter glass
and stainless steel chamber. The compound was
placed in a 2000 ml three-necked flask, pre-
weighed and mounted outside the chamber. Air was
bubbled through the test material at 5 L/min and
was then combined with an additional airflow of 10
L/min to produce a total flow rate through the
chamber of 15 L/min. Control animals
(5/sex/species) were exposed to clean air at the
same flow rate as the treated group.

All animals were observed for signs of toxicity,


abnormal behavior, and mortality during the
exposure period and for 14 days after the
exposure. Necropsies were performed on all
surviving animals and any animals that died during
the exposure or post-exposure observation period.
Statistics used to evaluate data were not
reported.

Results:

Value: LC50 > 31.7 mg/L for 6 h for rats and mice
LC50 <31.7 mg/L for 6 h for guinea pigs
Number of deaths
at each dose level: There were no deaths in the air-exposed
animals. In the treated animals, six guinea pigs
and three rats died during the exposure period.
No mice died during the study. One guinea pig
died on Day 1 of the recovery period.

Remarks: All animals showed compound awareness 1 minute


after exposure began and became increasingly
agitated during the first 35 minutes of exposure.
After 100 minutes, some animals were experiencing
tremors and convulsions. Necropsy examination
indicated dark red coloration of the lungs of 15
animals (3 rats, 4 mice, and 8 guinea pigs). Six
guinea pigs had liver discolorations. Five guinea
pigs showed pale kidney color also. One guinea pig
that died showed a large amount of blood in the
heart. Fifteen animals (7 rats, 6 mice, and 2
guinea pigs) showed no gross lesions. Under
conditions of this study, Alkenes, C7-9, C8 Rich
have a low order of acute inhalation toxicity in
rats.

Reliability: (1) Reliable without restrictions; comparable to a


guideline study.

Flag: Key study for SIDS endpoint

References: Exxon Corporation. (1977) Acute Inhalation


Toxicity - Rats, mice and guinea pigs
(unpublished report).

(2) Test Substance

270 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
Identity (purity): CAS No. 111-66-0, 1-octene (Ethyl
Corporation)

Method

Method/guideline: Not specified


Type (test type): LC50
GLP: Yes [ ] No [X ]
Year: 1973
Species/Strain: Rat/Sprague-Dawley
Sex: Males
No. of animals per
sex per dose: 10

Vehicle: None
Route of
administration: Inhalation (vapor)

Test Conditions: Six groups of 10 male rats (200-300 g, age not


reported) each were exposed to concentrations
ranging from 28.0 – 53.6 mg/L (6,050 to 11,580 ppm)
for 4 hours. The exposure atmosphere was generated
by bubbling air through 1-octene liquid and mixing
the effluent vapor with varying amounts of air
before entering the exposure chamber.

Results:

Value: LC50: 36.9 mg/L (nominal) (8,050 ppm) (4 hr)

Number of deaths
at each dose level:Mortality per group at nominal concentrations:

Gp. I (28.0 mg/L) = 0/10


Gp. II (31.1 mg/L) = 2/10
Gp. III (36.0 mg/L) = 5/10
Gp. IV (40.5 mg/L ) = 6/10
Gp. V (48.4 mg/L) = 9/10
Gp. VI (53.6 mg/L) = 10/10

Remarks: A preliminary one hour study at the saturated vapor


limit (87.5 mg/L nominal concentration; 19,110
ppm) caused deaths in 9 of 10 male Sprague Dawley
rats. Necrospy revealed hemorrhagic lungs, very
pale kidneys and nutmeg livers. The one surviving
animal was observed 14 days after exposure,
sacrificed and autopsied. There were no signs of
gross pathological changes 14 days after exposure.

In the main study, all deaths occurred within the


exposure period. Also during exposure, animals
exhibited labored breathing, erythema of exposed
skin, and body tremors. Surviving animals began
immediate recovery upon exposure to fresh air.
Necropsy at the end of the 14-day observation
period did not reveal any significant pathological
changes.

Reliability: (2) Reliable with restrictions: Incomplete


reporting of experimental details including age of
animals at initiation, body weight changes and

UNEP PUBLICATIONS 271


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
incidence and severity of clinical observations.
Study relied on nominal concentrations rather than
measured chamber concentrations.

Flag: Key study for SIDS endpoint

References: Ethyl Corporation (1973) Report on the Acute


Toxicity of Alpha Olefin C8, conducted by Tulane
University School of Medicine (unpublished report).

Other: This study was included in the dossier for 1-


octene at SIAM 11. Additional information has been
added.

C. Acute dermal toxicity

(1) Test Substance

Identity (purity): CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich

Method

Method/guideline: NA
Type (test type): LD50
GLP: Pre-GLP
Year: 1975
Species/Strain: Albino rabbits
Sex: Males and females
No. of animals
per sex per dose: 2

Vehicle: NA
Route of
administration: Dermal

Test Conditions: For the purpose of this study, the test material
was considered to be free of impurities. A single
dermal application of the test material was made
to two groups of four rabbits at doses of 200 and
3,160 mg/kg. The test material was applied to
abraded skin. The duration of exposure was 24
hours. Individual body weights were recorded on
Days 0, 7 and 14. Gross necropsies were performed
at the end of the experiment. Age of test animals
and the statistics used to evaluate the data were
not reported.

Results:

Value: LD50 > 3160 mg/kg


Number of deaths
at each dose level: No mortalities were observed at any dose
tested.

Remarks: There were no mortalities at any dosage level


tested. Thus, the LD50 in albino rabbits is
greater than the highest dose tested. Signs of
erythema, mild to moderate edema and second degree
burns were observed at 24 hours at both doses. At
7 and 14 days, focal escharosis was observed at

272 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
the low dose. At the high dose, escharosis,
fissuring, hemorrhaging, and wrinkling were
observed at 7 days and escharosis was observed at
14 days. Necropsy examination revealed emaciation
and depletion of fat stores in one male rabbit in
the low dose group. No other gross pathologic
alterations were observed. Under the conditions
of this study, Alkenes, C7-9, C8 rich have a low
order of acute dermal toxicity.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Exxon Research and Engineering Company (1975)


Chemical Hazard Data Sheet on Octenes and Acute
Oral Toxicity Study, Acute Dermal Toxicity Study,
Eye Irritation Toxicity Test and Acute Vapor
Inhalation Toxicity Study (unpublished report).

(2) Test Substance

Identity (purity): CAS No. 111-66-0, 1-Octene (NEODENE 8 Alpha


Olefin)

Method

Method/guideline: Not specified


Type (test type): LD50
GLP: No
Year: 1983
Species/Strain: Albino rabbits/New Zealand White
Sex: Males and females
No. of animals
per sex per dose: 8

Vehicle: None
Route of
administration: Dermal

Test Conditions: Groups of 16 (8 M, 8 F) rabbits were dosed with 2


ml/kg undiluted
test material (NEODOL-8) under an occlusive
dressing for 24 hours. Age of animals was not
specified.

Results:

Value: LD50 > 1.43 g/kg


Number of deaths
at each dose level: No mortalities were observed.

Remarks: There were no deaths or major gross pathological


changes. Mild to moderate skin irritation was
present at the site of application, after patch
removal, which became less pronounced (but not
fully reversed) over 14 days.

Original study indicated a Dermal LD50 >2 ml/kg/bw


however US EPA review prior to SIAM 11 indicated

UNEP PUBLICATIONS 273


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
that the LD50 should be changed to reflect 1.43 g/kg
in a memo dated 8/14/96. As a result the LD50 for
this study was changed from > 2 ml/kg/bw to
1.43 g/kg. The only remarkable necropsy findings
were those related to the exposure site (white
crusty material on skin and fur, alopecia,
abrasions, erosion, and focal cutaneous firmness
in one animal.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Shell Development Company, Westhollow


Research Center (1983) Acute Dermal Toxicity of
NEODENE 8 Alpha Olefin in the Rabbit. (unpublished
report).

Other: This study was included in the dossier for


1-octene at SIAM 11. Additional information has
been added.

D. Acute toxicity, other routes

No data available

5.3 Corrosiveness/Irritation

A. Skin Irritation/Corrosion

(1) Test Substance: CAS No. 111-66-0, 1-Octene (NEODENE 8 alpha


olefins)

pH: Not applicable

Method: OECD 404

Test Type: in vivo


GLP: Yes
Year: 1992

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Male and female
Number of animals
per sex per dose: 3 male, 3 female

Total dose: 0.5 ml


Vehicle: None
Exposure time period: 4 hrs
Grading scale: Draize

Method Remarks: Neat substance was applied to shaved, intact


dorsal skin. Draize scoring was made at 4, 24, 48

274 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
and 72 hour contact for erythema and edema.
(Further scoring was conducted at 7days)

Results: Primary Irritation Index score 4.2 (max. 8.0).


Mean score for 24+48+72 hour was 2.28 for erythema;
maximum single score was 1.83 for edema. Effects
disappeared within 14 days.

Reliability: (1) Reliable without restrictions

Reference: Morris, TD, Primary skin irritation study on


rabbits of Neodene 8 alpha olefin. Report ref:
91-8385-21 from Hill Top Biolabs Inc. to Shell Oil
Company (unpublished report).

(2) Test Substance: CAS No. 111-66-0, 1-Octene (GULFTENE 8 Alpha


Olefin)

pH: Not applicable

Method: OECD 404

Test Type: in vivo


GLP: No
Year: 1996

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Male and female
Number of animals
per sex per dose: 5 males and 1 female

Total dose: 0.5 ml


Vehicle: None
Exposure time period: 4 hr
Grading scale: Draize

Method Remarks: At the start of the study, the animals weighed


2.45 to 2.70 kg and were approximately 12 to 20
weeks old. One-half ml undiluted material was
applied to the unabraded skin on the shaved backs
of 6 rabbits, under a semi-occluded dressing
(cotton gauze patch placed in position with a strip
of porous tape; trunk wrapped in an elasticated
corset [TUBIGRIP]). A contralateral area of
untreated skin was identified to serve as the
control against which the reactions of the treated
site were evaluated. Four hours after application,
the corset and patches were removed and residual
test material was removed by swabbing with cotton
wool soaked in 74% Industrial Methylated Spirits.
The control sites were similarly swabbed. Scores
were made for erythema and edema at 0.5, 24, 48, 72
and 96 hr after removal of patches, and at 7 and 14
days after initiation of exposure.

UNEP PUBLICATIONS 275


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
Results: The 4-hr exposure produced well-defined erythema
and slight to severe edema which cleared by day 7.
Other dermal reactions noted were desquamation and
crust formation which persisted to day 14, but were
considered to be reversible effects. The Draize
primary irritation index was 3.42. The mean 24-72
hr scores for erythema and edema were 1.9 and 1.1
respectively.

Reliability: (1) Reliable without restrictions

Reference: Driscoll, R. (1996) Acute dermal irritation


test in the rabbit with GULFTENE 8, Report
703/076. Conducted by Safepharm Laboratories Ltd.
for Chevron Chemical Company (unpublished report).

Other: This study was included in the dossier for 1-


octene at SIAM 11. Additional information has been
added.

(3) Test Substance

Identity (purity): CAS No. 68526-54-5; Alkenes, C7-9, C8 rich

Method

Method/guideline: NA
Type (test type): Dermal irritation
GLP: Pre-GLP
Year: 1975
Species/Strain: Albino rabbits
Sex: Males and females
No. of animals
per sex per dose: 2

Vehicle: NA
Route of
administration: Dermal

Test Conditions: A single dermal application of the test material


was made to two groups of four rabbits at doses of
200 and 3,160 mg/kg. The test material was applied
to abraded skin. The duration of exposure was 24
hours. Individual body weights were recorded on
Days 0, 7 and 14. Gross necropsies were performed
at the end of the experiment. Age of the test
animals and the statistics used to evaluate the
data were not reported.

Results:

Number of deaths
at each dose level: No mortalities were observed at any dose
tested.

Remarks: Signs of erythema, mild to moderate edema and


second degree burns were observed at 24 hours at
both doses. At 7 and 14 days, focal escharosis
was observed at the low dose. At the high dose,
escharosis, fissuring, hemorrhaging, and wrinkling
were observed at 7 days and escharosis was

276 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
observed at 14 days. Necropsy examination
revealed emaciation and depletion of fat stores in
one male rabbit in the low dose group. No other
gross pathologic alterations were observed.

Reliability: (1) Reliable without restrictions; however,


exposure was more severe than recommended by
current testing guidelines (i.e., current
guidelines recommend exposing non-abraded skin and
exposure durations of 4 rather than 24 hours)

References: Exxon Research and Engineering Company (1975)


Chemical Hazard Data Sheet on Octenes and Acute
Oral Toxicity Study, Acute Dermal Toxicity Study,
Eye Irritation Toxicity Test and Acute Vapor
Inhalation Toxicity Study (unpublished report).

B. Eye Irritation/Corrosion

(1) Test Substance: CAS No. 111-66-0, 1-Octene (NEODENE 8 alpha


olefin)

pH: Not applicable

Method: U.S. FHSA method

Test Type: in vivo


GLP: Yes
Year: 1983

Test Conditions

Species: Albino rabbits


Strain: New Zealand White
Cell type:
Sex: 3 male and 3 female; additional 3 males washed
Number of animals
per dose: 9 (6 unwashed and 3 washed)

Dose(s) used: 0.1 ml


Vehicle: None
Observation period: 7 days
Scoring method used: Draize scoring at 1, 24, 48, and 72 hours and
7 days.

Results: Mean Draize score was 4.7 (out of 110) at 1 hour


after exposure for the washed eye animals and 0.0
at other points. Nonwashed scores were 3.0 at one
hour, 0.3 at 24 hours and 0.0 thereafter.

Remarks: Washing did not reduce irritation.

Reliability: (1) Reliable without restrictions

Reference: Shell Development Company, Westhollow Research


Center (1983) Eye Irritation of NEODENE 8 Alpha
Olefin in the Rabbit (unpublished report).

UNEP PUBLICATIONS 277


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
Other: This study was included in the dossier for 1-
octene at SIAM 11. Additional information has been
added.

(2) Test Substance

Identity (purity): CAS No. 68526-54-5; Alkenes, C7-9, C8 rich

Method

Method/guideline: Not specified


Type (test type): Ocular irritation
GLP: Pre-GLP
Year: 1975
Species/Strain: Albino rabbits
Sex: Males and females
No. of animals
per dose: 6
Vehicle: None
Route of
administration: Ocular

Test Conditions: The test material was administered as a single


instillation of 0.1 ml into the lower conjunctival
sac of the right eye of each animal. The upper
and lower lids were gently held together briefly
to insure adequate distribution of the test
material. The contralateral eye in each rabbit
served as the control. Throughout the study, food
and water were available at all times and animals
were housed individually. The age and weight of
the test animals were not reported Statistics
used to evaluate the data were not reported.

The general health of each rabbit was examined for


irritation of the cornea, iris and conjunctiva at
1 and 4 hours and on days 1, 2, 3, 4 and 7.
Ocular reactions were graded according to the
Draize Standard Eye Irritation Grading Scale.

Results: Maximum total Draize score = 4

Remarks: There were no animal deaths prior to study


termination. The test material produced mild
conjunctival irritation which completely cleared
within 24 hours

Reliability: (1) Reliable without restrictions

References: Industrial Bio-Test Laboratories, Inc.


(1975) Eye Irritation Test - Albino Rabbits
(unpublished report).

(3) Test Substance: SHOP C68 Internal Olefin

Remarks: CAS No. 25377-72-4, (Pentene=1.9%); CAS No.


25264-93-1, (Hexene=43.3%), CAS No. 25339-56-4,
(Heptene=21.7%) and 25377-83-7 (Octene=31.7%),
and CAS No. 27215-95-8 (Nonene=1.4%)

278 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005

Method: OECD Section 405 and Section B5 of Directive


92/69/EEC

Test Type: in vivo


GLP: Yes
Year: 1995

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Female
Number of animals
per dose: 3
Dose(s) used: 0.1 ml
Vehicle: None
Observation period: 72 hrs
Scoring method used: Draize scoring at 24, 48, and 72 hours after
treatment

Remarks: At the start of the study, the four month


old animals supplied by Froxfield SPF Rabbits,
Hampshire, England, weighed 2.80 to 3.35 kg.
Animals had free access to a commercially
available standard pelleted rabbit diet and tap
water taken from the public supply. During the
acclimatization period, the health status of each
animal was monitored and a record kept. Each
animal was subjected to a single ocular
instillation of 0.1 ml of the test material.
Ocular reactions were assessed 1, 24, 48, and 72
hours after treatment.

Results: Very slight or slight conjunctivitis was observed


in all animals one hour after instillation,
persisting in one animal to the 48 hour
examination. The treated eye of each animal was
overtly normal by the 72 hour examination. At hour
1, one animal had a score of 2 for redness, two
had scores of 1. At 24 hours, 1 rabbit had scores
of 1 for redness, 2 animals had scores of 0. At 48
hours, 1 animal had scores of 1 for redness, all
other scores were 0. At 72 hours, all scores were
0.

Reliability: (1) Reliable without restrictions

Reference: Huntington Life Sciences Ltd, (1996) SHOP


C68 Internal Olefins: Eye Irritation in the
Rabbit; Performed for Shell Chemical Co.
(unpublished report).

5.4 Skin Sensitisation

A. Test Substance: CAS No. 111-66-0, 1-Octene (1% w/v NEODENE 8 alpha
olefin in absolute ethanol)

Method: Buehler

UNEP PUBLICATIONS 279


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
Test Type: challenge
GLP: Yes
Year: 1983

Test Conditions
Species: Guinea pig
Strain: Duncan-Hartley albino
Sex: Males and females
Number of animals
per sex per dose: 5

Route of
administration: Topical , occluded patch
Induction conc.: 1%
Induction vehicle: Absolute ethanol
Challenge conc.: 1%
Challenge vehicle: Absolute ethanol
Grading system used: 0 = no reaction
+/- = minimal erythema
1 = slight erythema
2 = moderate erythema
3 = moderate erythema with slight edema
4= severe eerythema with moderate edema and cracking of
skin

Method remarks: DNCB (0.1% w/v) was used as a positive control. Test
article and controls were administered 1 day/week, 6
hr/day for 3 weeks. 48 hours prior to dose application,
animals were clipped on the back/trunk region using
animal clippers. 18-24 hours prior to dosing, the
animals were depilated with NEET lotion and rinsed with
water. The dose was applied to a 1 inch by 1 inch
gauze pad, to the anterior central portion of the
clipped area, and secured with BLENDERM surgical tape.
The animal was placed in a stainless steel wire
restrainer for 6 hours before unwrapping and removal of
any excess test materials. The challenge application
was accomplished in t he same manner, except that, at
that time, one patch was placed on the original site and
one patch placed on a virgin site immediately posterior
to the original patch. The treatment period was the
same. The irritation control group was treated only
once, on the fifth week and only one patch was applied
to these animals.

Results: Negative for sensitization

Grades:

Results Remarks: No increase in irritation over the 5 week test period.


At challenge, one test animal compared to 2 vehicle
control animals had scores of +/- to 0 at 48 hours.

Reliability: (2) Reliable with restrictions: In the positive control


group, 24 hours before the week 2 application, the
original site resembled a large open sore. Since the
animals were to be treated again, it was decided that
they would be treated on the challenge site and that the

280 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
patch would be covered with BLENDERM tape instead of
aluminum foil. The challenge doses were given in the
same manner as the sensitizing doses, only they were
challenged by placing treatment patch on the right side.

Reference: Shell Development Company, Westhollow Research Center


(1983) Guinea Pig Skin Sensitization of NEODENE 8 Alpha
Olefin (unpublished report).

Other: This study was included in the dossier for 1-octene at


SIAM 11. Additional information has been added.

B. Test Substance: SHOP C68 Internal Olefin

Remarks: CAS No. 25377-72-4, (Pentene=1.9%); CAS No. 25264-93-1,


(Hexene=43.3%), CAS No. 25339-56-4, (Heptene=21.7%) and
25377-83-7 (Octene=31.7%), and CAS No. 27215-95-8
(Nonene=1.4%)

Method: OECD Guidelines, Section 406 and Section B6 of Directive


92/69/EEC

Test Type: Magnusson and Kligman


GLP: Yes
Year: 1995

Test Conditions

Species: Albino Guinea pig


Strain: Dunkin-Hartley
Sex: Males and females
Number of animals
per sex: 10 each in test group; 5 each in control group

Route of
administration: Topical

Intradermal
Induction conc.: 50%
Intradermal
Induction vehicle: Paraffin oil
Topical
Induction conc.: 100%
Topical
Induction vehicle: none

Challenge conc.: 100% and 30%


Challenge vehicle: Paraffin oil
Positive control: none
Grading system used: Draize

Method remarks: The dorsal trunk and flanks of the 6-8 week old animals,
weighing 302-380 grams were clipped on the day prior to
dosing. Four males and four females were dosed at 0.4
ml/site at concentrations of 2.5%, 5%, 10%, 25%, and 50%
under occlusion with test material for a period of six
hours and examined and graded in accordance with the
Draize method at 24 and 48 hours after completion of
exposure.

UNEP PUBLICATIONS 281


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005

A Test Group of 10 male and 10 female animals was dosed


topically at 0.4 ml/site under occlusion with test
material once per week for three weeks, a total of
three induction exposures. A Positive Control Group of
6 males and 6 females was dosed with
dinitrochlorobenzene (DNCB). Doses were applied under
25-mm Hill Top Chambers®, with adhesive backs removed,
occluded with plastic wrap and overwrapped with
Elastoplast® tape. The period of exposure was six hours,
after which the bandages were removed, and the sites
wiped with disposable paper towels moistened with tepid
tap water. The test material concentration used for
induction and dosing (100% and 0.1% in acetone,
respectively) were selected based on the irritation
rangefinding phase.

Two weeks after the last induction exposure, Test Group


animals were challenge dosed by topical application of a
known essentially nonirritating concentration of the
test material to previously unexposed areas of skin for
six hours. The Positive Control Group was induced and
challenged on a similar regimen as the Test Group with
DNCB. Reactions to challenge dosing were evaluated at
approximately 24 and 48 hours after completion of each
exposure.

Results: Negative for sensitization

Grades: See remarks

Results Remarks: Intradermal injection of 50% v/v SHOP C68 in paraffin


oil gave rise to isolated cases of slight or moderate
erythema and pallor; a similar administration of 50% v/v
SHOP C68 in the adjuvant resulted in slight or moderate
erythema, pallor, discoloration, eschar formation and
edema. The entire suprascapular region of five animals
was edematous.

Occluded topical induction application of SHOP C68 gave


rise to slight erythema and exfoliation.

Challenge application of test material gave rise to a


positive response (slight erythema or a more marked
reaction) in sixteen test and four control animals.
Challenge of test material in paraffin oil caused a
positive response in five test and no control animals.
Challenge application of paraffin oil alone caused a
positive response in one test and no control animals.
Re-challenge application of 50% v/v SHOP C68 in paraffin
oil caused a positive response in two test and one
control animals. Re-challenge application of paraffin
oil alone caused a positive response in one test and no
control animals.

282 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
Although the incidence of significant responses was
slightly higher in test than control animals, the
difference was not considered to be sufficiently marked
to be attributed to contact sensitization. The
reactions were considered to reflect primary irritation.
It was therefore concluded that, under the conditions of
this study, repeated administration of SHOP C68 did not
cause delayed contact hypersensitivity in guinea pigs.

Reliability: (1) Reliable without restrictions

Reference: Huntingdon Life Sciences Ltd. (1996) SHOP Internal


Olefin: Delayed hypersensitivity study in the Guinea Pig
(Magnusson Kligman Method), Performed for Shell Chemical
Co. (unpublished report).

5.5 Repeated Dose Toxicity

Test Substance

Identity (purity): CAS No. 111-66-0, 1-Octene (Netherlands)

Method
Method/guideline: Not specified
Test type: Subchronic (90 day) Gavage
GLP: No
Year: 1986
Species: Rat
Strain: Unknown
Route of
Administration: Oral gavage

Duration of test: 90 days


Doses: 0, 5, 50, or 500 mg/kg b.w./day
Sex: Males and females
Exposure period: 7 days/week for 13 weeks
Frequency
of treatment: Once daily

Control group
and treatment: Concurrent control

Post exposure
observation period: None

Statistical methods: Unknown

Test Conditions: Groups of 40 (20M, 20F) rats were gavaged with 0,


5, 50 or 500 mg/kg body weight/day for 7 days a week for 13 weeks.
No other details are available.

Results

NOAEL (NOEL): No-toxic-effect level is between 50 and 500 mg/kg


b.w./day, and probably only slightly less than 500 mg/kg/b.w./day.
Based on data presented, the only NOEL that was determined is 50
mg/kg/day. This is due to the limitations of doses utilized in the

UNEP PUBLICATIONS 283


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
study design and treatment related effects observed at 500
mg/kg/day.

LOAEL (LOEL): 500 mg/kg/day

Remarks: Body weights, food intake, clinical signs, behavior, and


hematological parameters did not differ significantly. Gross
necropsy findings were not different. Slight changes differing from
control were only seen in the high dose group, and included
increased kidney weights and decreased plasma chloride in both
sexes, increased urinary volume and unspecified microscopic kidney
differences in male rats only, and increased plasma creatinine in
females only.

Reliability: (2) Reliable with restrictions. The study report


is not available for review, but was reviewed for
SIAM 11.

Flag: Key study for SIDS endpoint.

References: Til, H.P., et al. (1986) Sub-chronic (90-day) Oral


Toxicity Study with Octene-1 in Rats. Conducted by Civo
Institutes TNO, Report No. V 86.408/251091 for DSM,
Beek, the Netherlands, Project No. B 85-1091
(unpublished report).

Other: This study was included in the dossier for 1-octene at


SIAM 11.

5.6 Genetic Toxicity in vitro

A. Gene Mutation

(1) Test Substance

Identity (purity): CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich

Method

Method/guideline: EPA OTS 798.5265


Type: in-vitro bacterial reverse mutation – Ames Assay
System of testing: bacterial
GLP: Yes
Year: 1991
Species/Strain: Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538
Metabolic activation: With and without S9 fraction of livers from
rats pretreated with Aroclor 1254

Concentrations tested: 10, 32, 100, 320 and 1000 µg/plate (Doses
were based on a pre-test for toxicity)

Statistical Methods: The mean plate count and standard deviation


for each dose point were determined. Any
test value that was equal to or greater than
three times the mean value of the concurrent
vehicle control was considered to be a
positive dose.

284 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
Test Conditions: For the purpose of this study, the test material
was considered to be free of impurities. DMSO was
the vehicle for controls. Ethanol was the vehicle
for the test material. Vehicle controls were
dosed at 0.1 ml/plate ethanol and 0.1 ml/plate
DMSO. The positive controls were 2-
Aminoanthracene, 9-Aminoacridine, 2-Nitrofluorene,
N-methyl-N-nitro-N-nitrosoguanidine. Three plates
were prepared for each dose level.

To determine the highest dose of compound to be


used in the assay, a dose range from 1 to 10,000
µg/plate was tested. Only strain TA98 was used.
The toxicity pretest was repeated and toxicity was
observed as a reduction in both background and
revertant colony counts. 1000 µg/plate was
selected as the high dose to be used on the
mutagenesis assay for both the saline (-S9) and
the +S9 treated plates.

A repeat assay was performed in order to verify


the data produced in the initial assay.

Results

Cytotoxic conc.: 1000 µ g/plate


Genotoxic effects: Negative with and without metabolic
activation

Remarks: The test material did not produce any evidence of


mutagenicity. In the initial and repeat assays,
neither a positive response nor a dose related
increase in revertants was observed for any of the
tester strains either in the presence or absence
of metabolic activation. All positive and negative
controls responded in a manner consistent with
data from previous assays. Under conditions of
this assay, the test material was not mutagenic
for the Salmonella tester strains at doses up to
and including 1000 µg/plate.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint.

References: EBSI (1991) Microbial Mutagenesis in Salmonella:


Mammalian Microsome Plate Incorporation Assay
(unpublished report).

(2) Test Substance

Identity (purity): CAS No. 111-66-0, 1-Octene (NEODENE 8 Alpha


Olefin)

Method

Method/guideline: Ames test, with and without metabolic activation


from rat liver homogenate fraction, modification
by preincubation plate incorporation
Type: In vitro bacterial reverse mutation – Ames Assay

UNEP PUBLICATIONS 285


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
System of testing: bacterial
GLP: Yes
Year: 1983
Species/Strain: Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538
Metabolic activation: With and without S9 fraction of livers from
rats pretreated with Aroclor 1254

Concentrations tested: 0.45 to 1.4 x 10-4 mg/plate (Doses were


based on a pre-test for toxicity)

Statistical Methods: None reported

Test Conditions: Absolute ethanol was the vehicle for the test
material. DMSO was the vehicle for positive
controls. The positive controls were 2-
Aminoanthracene, 9-Aminoacridine, 2-Nitrofluorene,
N-methyl-N-nitro-N-nitrosoguanidine. Six glass
culture tubes were set up for each dose level of
test or control chemical, 3 without and 3 with
metabolic activation. The tubes contained 0.50 ml
phosphate buffer or S-9/cofactor mix, 0.05 ml
solvent , test or control chemical, 0.10 ml
bacterial suspension. The tubes were covered with
PARAFILM and incubated at 37o C for 20 minutes.
Soft agar supplemented with histidine and biotin
was added to each tube and the contents poured
onto Vogel-Bonner agar plates. The plates were
placed into PLEXIGLASS boxes and transferred to
37oC bacterial incubators. After a 2-day
incubation, the colonies on each plate were
counted with a Biotran II automatic colony
counter. Spontaneous reversion rate controls and
positive controls for each of the 5 strains were
run concurrently with the mutagenicity assay.
Sterility checks as well as strain
characterization checks, which included
verification of nutritional requirements and
reaction of the strains to ampicillin and crystal
violet, were also run concurrently. A repeat assay
was performed in order to verify the data produced
in the initial assay.

Results

Cytotoxic conc.: 0.45 mg/plate


Genotoxic effects: Negative with and without metabolic
activation

Remarks: The concentration of the test compound


resulting in precipitation: 14 ug/plate to 0.45
mg/plate. No indication of mutagenic response in
any of the five Salmonella typhimurium strains in
presence or absence of metabolic activation
fraction.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

286 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
References: Shell Development Company, Westhollow
Research Center (1983) Assay of NEODENE-8 Alpha
Olefin for Gene Mutation in Salmonella typhymurium
(unpublished report).

Other: This study was included in the dossier for


1-octene at SIAM 11. Additional information has
been added.

B. Chromosomal Aberration

(1) Test Substance

Identity (purity): CAS No. 111-66-0, 1-Octene (NEODENE 8


alpha olefin)

Method

Method/guideline: Not specified


Type: In-vitro mammalian chromosome aberration test
System of testing: non- bacterial
GLP: Yes
Year: 1983
Cell line: Chinese Hamster Ovary (CHO) cells received
from the lab of T.C. Hsu, M.D. Anderson Research
Center, Houston, TX

Metabolic activation: With and without S9 fraction. Prepared from


the livers of Sprague Dawley rats dosed with
Aroclor 1254 at 500 mg/kg body weight.

Concentrations tested: 1 ug to 10 ug/ml


Statistical Methods: The mean and SD of the colony counts from
cultures derived from each flask were computed by
standard methods.

Test Conditions: Ethanol (95%) was the vehicle for the test
material. Positive controls: TEM and CP. Cells
were exposed to 6 concentrations of octene in the
absence and presence of S-9. The cells were
exposed by adding a 0.15 ml aliquot of each
concentration of test chemical, positive control
chemical or solvent to glass flasks of
established cell cultures in log phase growth
which contained 15 ml of culture medium either
without or with S-9. Negative control cultures
were run concurrently. Single cultures were used
for the assay. With or without activation, cells
for analysis were collected 3, 8, and 12 hrs post
exposure, and cells were evaluated using a Coulter
ZBI electronic counter. 100 cells from each
culture at each time point were scored. A repeat
assay was performed in order to verify the data
produced in the initial assay.

Results

Cytotoxic conc.: 0.72 mg/ml (Greater than 80% decrease in mean cell
number of cells per flask as compared to solvent
control, with and without activation).

UNEP PUBLICATIONS 287


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005

Genotoxic effects: Equivocal with metabolic activation and


negative without metabolic activation.

Remarks: NO ACTIVATION: Aberration rate in mean


aberrations per cell and percent abnormal CHO
cells from exposure to NEODENE 8 alpha olefin
(collected 3, 8, and 12 hours post exposure) not
significantly higher than cells exposed to solvent
(95% ethanol). Cells collected 12 hours after
exposure to culture medium in the absence of S-9
resulted in 0.01 mean aberrations per cell and 1%
abnormal cells; those exposed to solvent resulted
in 0.06 mean aberrations per cell and 6% abnormal
cells. Exposure to TEM resulted in a response of
0.16 mean aberrations per cell and 13% of the
cells with aberrations which was significantly
higher than that of the solvent control. Cells
collected 8 hours after exposure to culture medium
in the absence of S-9 resulted in 0.07 mean
aberrations per cell and 5% abnormal cells; those
exposed to solvent resulted in 0.07 mean
aberrations per cell and 7% abnormal cells.
Cells collected at 3 hours yielded similar
results.

ACTIVATION PRESENT: At 12 hours collection time,


cells in the medium control had 0.01 mean
aberrations per cell and 1% abnormal cells, while
those in the solvent control had 0.04 mean
aberrations per cell and 4% abnormal cells. The
positive control, CP, produced a response of 0.18
mean aberrations and 14% abnormal cells,
significantly higher than that of the solvent
control. Exposure to C8 alpha olefin resulted in
> 2-fold increases (compared to solvent control)
in aberrations per cell at the 5 highest
concentrations, and in percent abnormal cells at 3
nonconsecutive concentrations: 1.8x10-3, 3.2x10-3,
and 1x10-2 mg/ml. The increases were only slightly
over 2-fold the background. Because responses
which exceeded 2-fold that of the solvent control
were obtained, cells collected at earlier time
points under the same conditions were not scored.

Reliability: (2) Reliable with restrictions: Although


>15% abnormal cells were not obtained for the
positive control, as stated in protocol, the
response to TEM and CP were positive (greater than
two-fold) when compared to solvent control.

Flag: Key study for SIDS endpoint

References: Shell Development Company, Westhollow


Research Center (1983) In Vitro Chromosome
Aberration Assay in Chinese Hamster Cells of
NEODENE 8 Alpha Olefin (unpublished report).

288 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
Other: This study was included in the dossier for
1-octene at SIAM 11. Additional information has
been added.

(2) Test Substance

Identity (purity): CAS No. 111-66-0, 1-Octene (Netherlands)

Method

Method/guideline: Not specified


Type: In-vitro mammalian chromosome aberration test
System of testing: non- bacterial
GLP: Unknown
Year: 1986
Cell line: Cultured Chinese Hamster Ovary (CHO) cells
Metabolic activation: With and without S9
Concentrations tested: 1.33 to 40 ug/mL
Statistical Methods: Not available

Test Conditions: Cells were exposed for 3 hours to Ham's media,


ethanol as solvent control, mitomycin C as positive
control without activation or cyclophosphamide as
positive control with activation, or to dilutions
of test article in ethanol. Harvest times were 12
and 21 hours. No other information is available.

Results

Cytotoxic conc.: 40 ug/mL

Genotoxic effects: Negative with and without metabolic


activation.

Reliability: (2) Reliable with restrictions. Report was


not available for review.

Flag: Key study for SIDS endpoint

References: Wilmer, J.W.G.M. (1986) Chromosome Analysis


of Chinese Hamster Ovary Cells Treated in Vitro
with 1-Octene. Conducted by Civo Institutes TNO,
Report No. V 86.168/251124, for DSM, Geleen, the
Netherlands, Project No. B 85-1124 (unpublished
report).

Other: This study was included in the dossier for


1-octene at SIAM 11.

C. Other Genetic Effects

Test Substance

Identity (purity): CAS No. 111-66-0, 1-Octene (NEODENE 8 Alpha


Olefin)

Method

UNEP PUBLICATIONS 289


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
Method/guideline: Not specified
Type: Morphologic Transformation Assay of BALB/c-3T3
System of testing: Non-bacterial
GLP: Yes
Year: 1983
Cell line: Mouse embryo cells, BALB/c-3T3
Metabolic activation: Yes: Adult male Fischer 344 rats dosed with
Aroclor 1254 (500 mg/kg body weight) for 5 days prior to
sacrifice.

Concentrations tested: Transformation experiment without activation: 62.5


to 16.0 ug/ml
Transformation experiment with activation: 1.0 to 0.063
mg/ml

Statistical Methods: No data

Test Conditions: Exponentially growing BALB/c-3T3 cells were harvested by


trypsinization and were suspended at concentrations of
200-250 cells/ml in growth medium. After adding 2.0-2.5
ml of medium to a 25 cm2 flask, 1.0 ml of the cell
suspension was added to each of 3 flasks used per
concentration of test material and 6 flasks each for the
media, acetone and positive control. The dishes were
incubated at 37 0 C for 18-24 hours.

Dosing in absence of S-9 activation: After the initial


incubation period, the medium was removed and replaced
with 2.0 ml fresh medium. A solution of each
concentration of test chemical was made by diluting a
200x concentration by a factor of 66.7 using growth
medium. For dosing, 1.0 ml if this solution was mixed
with 2.0 ml of medium. The cells were then incubated
for 3 days at 37 0 C in the presence of the test
chemical.

Dosing in presence of S-9 activation: After the initial


incubation period, the medium was removed and replaced
with 2.0 ml fresh medium. To a separate tube the
following components were added 1) 1.0 ml S-9 liver
microsomes adjusted with medium to contain 10x the
quantity of protein required for optimal activation of
the positive control chemical; 2) 1.0 ml of a solution
containing 2.36 mg/ml NADP and 15.52 mg/ml isocitrate
adjusted to pH 7.2; 3) 1.0 ml solution made by diluting
a 200x concentration of test chemical in ethanol by a
factor of 20 with medium; 4) 0.33 ml of medium. The
contents of the tube were mixed and added to the 2.0 ml
of medium in the dish for 4 hours at 37 0 C.

The negative controls (15 ul ethanol) and the positive


control (MNNG in the absence of S-9 or DMN in the
presence of S-9) were used at doses previously found to
exhibit activity in the assay.

TOXICITY ASSAY: After 7-8 days, when colonies had


developed sufficiently, the growth medium was removed
from the flasks, the flasks washed with Hank’s Balanced
Salt Solution, the cells fixed with 95% methanol for 30
min and stained with Giemsa. The flasks were air dried
and the colonies counted by hand.

290 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005

TRANSFORMATION ASSAY: After exposure to the test


chemical for 3 days in the absence of S-9 and 4 hours in
the presence of S-9, the cells were washed with Hank’s
Balanced Salt Solution, refed with growth medium and
incubated at 370 C for approximately 4 weeks. Upon
termination of the assay, the plates were washed with
Hank’s Balanced Salt Solution, fixed in 95% methanol,
and stained with Giesma.

SCORING OF THE TRANSFORMED FOCI: At the end of the 4-


week incubation period, cultures of normal cells yielded
a uniformly stained monolayer of round, closely packed
cells. Transformed cells formed a dense mass that
stained deeply and was superimposed on the surrounding
monolayer of normal cells. The foci were variable in
size. Foci that had any of these characteristics
(random criss-cross orientation, more rounded cells with
necrosis at the center or without the necrotic center
and large numbers of cells which exhibited criss-cross
pattern of overlapping cells throughout the majority of
the colony) and exceeded 2 mm in diameter were scored
+++, while those less than 2 mm in diameter were
designated ++.

Results:

Cytotoxic conc.: Without activation: ≥ 23.2 ug/ml


With activation: No dose related reductions in cell
survival were observed at concentrations of test
material as high as 4000 ug/ml. Its transforming
activity was tested over the concentration range of 1.0
to 0.063 mg/ml.

Genotoxic effects: Negative

Remarks: No evidence of test material induction of statistically


significant increases in transformation frequencies were
observed. Test material was considered to be inactive as
a BALB/c-3T3 transforming agent in the absence and
presence of exogenous metabolic activation.

Reliability: (2) Reliable with restrictions: Test material and


positive control chemicals were handled under ambient
room light, rather than under yellow light; negative
control treatments included the use of culture medium
rather than distilled water; MNNG was not used at the
positive control in the nonactivated preliminary
cytotoxicity test; doses of test material used in the
activation study did not include the range of toxicity
described in protocol; number of tissue culture vessels
used for experimental conditions equaled or exceeded the
numbers stipulated in the protocol. In the opinion of
the study director, these deviations had no effect on
the validity of the data and interpretations.

References: Shell Development Company, Westhollow Research Center


(1983) Cell Transformation Assay of NEODENE-8 Alpha
Olefin in the Absence and Presence of Microsomal
Activation. Performed at Litton Bionetics, Inc.,
(unpublished report).

UNEP PUBLICATIONS 291


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005

Other: This study was included in the dossier for 1-octene at


SIAM 11.

5.7 Genetic Toxicity in vivo

A. Test Substance

Identity (purity): CAS No. 68526-53-4; Alkenes, C6-8, C7 Rich

Method

Method/guideline: EPA OTS 798.5395


Type: Micronucleus Assay
GLP: Yes
Year: 1993
Species: Mouse
Strain: B6C3F1
Sex: Male and female
Route of
Administration: Oral gavage
Concentration levels: 1.25, 2.5, and 5 g/kg. Concentrations were based
on the results of a range-finding study.
Exposure period: Single dose
Statistical methods: Analysis of variance (ANOVA), Duncan's Multiple
Range Test. Sexes were analyzed separately.

Test Conditions: For the purpose of this study, the test material was
considered to be free of impurities. The test material
and the carrier (corn oil) were administered by oral
gavage as single doses to 15 mice/sex/dose (not fasted).
The positive control, cyclophosphamide, was also
administered by oral gavage as a single dose of 40
mg/kg. The dosing volume was the same as that of the
test material. The test animals were approximately 7 to
9 weeks of age and weighed between 19 and 28 g at the
start of the study. Animals from the appropriate groups
(5 animals/sex/group) were sacrificed by carbon dioxide
asphyxiation at appropriately 24, 48 and 72 hours after
dose administration. Animals dosed with
cyclophosphamide were sacrificed at 24 hours only.
Immediately upon sacrifice, the bone marrow was removed
from both femurs of each animal, resuspended in fetal
bovine serum, and prepared for microscopy. Samples were
blindly coded and stained with acridine orange. 1000
polychromatic erythrocytes (PCE) from each animal were
examined for micronuclei, and the ratio of PCE's to
NCE's (normochromatic erythrocytes) was determined for
each animal by counting 1000 erythrocytes (PCE's and
NCE's).

Results

Effect on
PCE/NCE ratio: None
Genotoxic effects: Under the conditions of this study, the test
sample is not considered to be mutagenic at doses
up to and including 5.0 g/kg.

292 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
NOEL: 5.0 g/kg

Remarks: There was no statistically significant increase in the


mean number of micronucleated polychromatic
erythrocytes, indicating that the test material was not
clastogenic. The positive control induced a
statistically significant increase in the mean number of
micronucleated polychromatic erythrocytes, which
indicates that the positive control is clastogenic. The
test material did not induce a statistically significant
increase in the mean number of micronucleated
polychromatic erythrocytes. In addition, the test
material did not induce a significant decrease in the
mean percent of polychromatic erythrocytes, which is a
measure of bone marrow toxicity.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Exxon Chemical Company (1993) In vivo Mammalian Bone


Marrow Micronucleus Assay: Oral Gavage Method
(unpublished report).

B. Test Substance

Identity (purity): CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich

Method

Method/guideline: EPA OTS 798.5395


Type: Micronucleus Assay
GLP: Yes
Year: 1991
Species: Mouse
Strain: B6C3F1
Sex: Male and female
Route of
Administration: Oral gavage
Concentration levels: 1.25, 2.5, and 5 g/kg. Concentrations were based
on the results of a range-finding study.
Exposure period: Single dose
Statistical methods: Analysis of variance (ANOVA), Duncan's Multiple
Range Test; sexes were analyzed separately

Test Conditions: For the purpose of this study, the test material was
considered to be free of impurities. The test animals
were approximately 8 to 9 weeks of age and weighed
between 21 and 29 g at the start of the study. The test
material and the carrier (corn oil) were administered by
oral gavage as single doses to 15 mice/sex/dose (not
fasted). The positive control, cyclophosphamide, was
administered by intraperitoneal injection as a single
dose of 40 mg/kg in reagent grade water at the same
volume as the test material. Animals from the
appropriate groups (5 animals/sex/group) were sacrificed
by carbon dioxide asphyxiation at appropriately 24, 48
and 72 hours after dose administration. Animals dosed
with cyclophosphamide were sacrificed at 24 hours only.
Immediately upon sacrifice, the bone marrow was removed

UNEP PUBLICATIONS 293


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005
from both femurs of each animal, resuspended in fetal
bovine serum, and prepared for microscopy. Samples
were blindly coded and stained with acridine orange.
1000 polychromatic erythrocytes (PCE) from each animal
were examined for micronuclei, and the ratio of PCE's to
NCE's (normochromatic erythrocytes) was determined for
each animal by counting 1000 erythrocytes (PCE's and
NCE's)

Results

Effect on
PCE/NCE ratio: The test material induced a significant decrease in
polychromatic erythrocytes in both males and females at
48 and 72 hours when treated with the high dose (5.0
g/kg). In addition, the mean percent of PCE's for the
5.0 g/kg dose group for both sexes at 48 and 72 hours
were statistically different from the carrier controls.
The mean percent of PCE's for the female 2.5 g/kg dose
group at 48 hours was also statistically different from
the carrier control.

Genotoxic effects: Negative.

NOEL: 5.0 g/kg

Remarks: There was no statistically significant increase in the


mean number of micronucleated polychromatic
erythrocytes. Thus, the test material was not
clastogenic. The positive control induced a
statistically significant increase in the mean number of
micronucleated polychromatic erythrocytes, which
indicates that the positive control responded
appropriately and is clastogenic. These observations
indicate that the test material was toxic to mouse bone
marrow at higher concentrations, but did not induce
micronuclei formation. Under conditions of this assay,
the test material is not considered clastogenic in mice
up to and including 5.0 g/kg when evaluated up to 72
hours after dose administration.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Exxon Biomedical Sciences, Inc. (1991) In vivo


Mammalian Bone Marrow Micronucleus Assay: Oral Gavage
Method (unpublished report).

5.8 Carcinogenicity

No data available

5.9 Reproductive Toxicity (including Fertility and Developmental Toxicity).

A. Fertility

No data available

294 UNEP PUBLICATIONS


OECD SIDS OCTENE
5. TOXICITY ID: 25377-83-7
DATE: 28.04.2005

B. Developmental Toxicity

No data available

5.10 Other Relevant Information

Aspiration

Test Substance

Identity: C6-C18 even numbered alpha olefins

Method

Type: General toxicity – aspiration


Species: Rat
Strain: Wistar
Sex: Male
Route of
Administration: aspiration
Dose: 0.2 mL

Results: See Remarks

Remarks: C6-C18 alkenes (even carbon numbers, alpha olefins), source


and purity unspecified, were assessed for aspiration hazard in
an animal study using Wistar rats. Four or five males were
used per test article. Two-tenths mL of the test material was
placed in the mouths of rats that had been anesthetized to the
point of apnea in a covered wide mouth gallon jar containing
about 1 inch of wood shavings moistened with approximately 1
ounce of anhydrous diethyl ether. As the animals began to
breathe again, the nostrils were held until the test material
had been aspirated or the animal regained consciousness. All
alkenes tested except 1- hexene were aspirated into the lungs.
1-Hexene was difficult to dose because of its volatility. Two
animals survived because the hydrocarbon “boiled” out of the
mouth before it was aspirated. All animals exposed to C8 to C14
died within 24 hours. With C16 and C18, there was only one
death (C18). Lung weights were increased in alkenes-treated
animals compared with controls. The affected animals showed
chemical pneumonitis. The report concluded that there is a
significant aspiration hazard with C6 to C14 alkenes.

Reference: Gerarde, H.W. (1963) Toxicological Studies on Hydrocarbons.


Archives of Environmental Health 6:329-341.

Other: This study was included in the dossier for 1-octene at SIAM
11.

5.11 Experience with Human Exposure

No data available

UNEP PUBLICATIONS 295


OECD SIDS OCTENE
6. REFERENCES ID: 25377-83-7
DATE: 28.04.2005
Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity of compounds that may be
carried by ships [MARPOL 1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).

Adema, D.M.M., and Bakker, G.H. (1985) (unpublished report). [no further
information is available]

American Chemistry Council’s Higher Olefins Panel (2002) Personal communication.

Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J. Beaumann and N. Tirado


(1994) Group contribution method for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.

Driscoll, R. (1996) Acute dermal irritation test in the rabbit with GULFTENE 8,
Report 703/076. Conducted by Safepharm Laboratories Ltd. for Chevron Chemical
Company (unpublished report).

EBSI (1991) Microbial Mutagenesis in Salmonella: Mammalian Microsome Plate


Incorporation Assay (unpublished report).

Eide, I., R. Hagerman, K. Zahlsen, E. Tareke, M. Tornquist, R. Kumar, P. Vodicka


and K. Hemminki (1995) Uptake, distribution, and formation of hemoglobin and DNA
adducts after inhalation of C2-C8 1-alkenes [olefins] in the rat.
Carcinogenesis. 16, 1603 - 1609.

EPIWIN (2000a) Estimation Program Interface for Windows, version 3.10. Syracuse
Research Corporation, Syracuse, NY. USA.

EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

Ethyl Corporation (1973) Report on the Acute Toxicity of Alpha Olefin C8,
conducted by Tulane University School of Medicine (unpublished report).

Exxon Biomedical Sciences, Inc. (1991) In vivo Mammalian Bone Marrow


Micronucleus Assay: Oral Gavage Method (unpublished report).

Exxon Biomedical Sciences, Inc. (1996) Alkenes, C7-9, C8 Rich: Fish, Acute
Toxicity Test. Study #119158. Exxon Biomedical Sciences, Inc., East Millstone,
NJ, USA (unpublished report).

Exxon Biomedical Sciences, Inc. (1997) Alkenes, C7-9, C8 Rich: Ready


Biodegradability: OECD 301F Manometric Respirometry. Study #119194A. Exxon
Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished report)

Exxon Chemical Company (1993) In vivo Mammalian Bone Marrow Micronucleus Assay:
Oral Gavage Method (unpublished report).

Exxon Corporation. (1977) Acute Inhalation Toxicity - Rats, mice and guinea
pigs (unpublished report).

Exxon Research and Engineering Company (1975) Chemical Hazard Data Sheet on
Octenes and Acute Oral Toxicity Study, Acute Dermal Toxicity Study, Eye
Irritation Toxicity Test and Acute Vapor Inhalation Toxicity Study (unpublished
report).

Gerarde, H.W. (1963) Toxicological Studies on Hydrocarbons. Archives of


Environmental Health 6:329-341.

Gould, E.S. (1959) Mechanism and Structure in Organic Chemistry, Holt, Reinhart
and Winston, New York, NY, USA.

296 UNEP PUBLICATIONS


OECD SIDS OCTENE
6. REFERENCES ID: 25377-83-7
DATE: 28.04.2005
Hansch, C., A. Leo and D. Hoekman (1995) Exploring QSAR. Hydrophobic,
Electronic, and Steric constants. ACS Professional Reference Book. Washing, DC:
American Chemical Society.

Harris J C (1982a). Rate of Aqueous Photolysis. Chapter 8 in: W. J. Lyman, W. F.


Reehl, and D. H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, USA

Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in: W.J. Lyman, W.F. Reehl,
and D.H. Rosenblatt, eds., Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.

Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M. Meylan, A.E. Hueber, J.A.
Beauman and M.E. Larosche (1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem.
11:593-603.

Huntingdon Life Sciences Ltd. (1996) SHOP Internal Olefin: Delayed


hypersensitivity study in the Guinea Pig (Magnusson Kligman Method), Performed
for Shell Chemical Co. (unpublished report).

Huntington Life Sciences Ltd, (1996) SHOP C68 Internal Olefins: Eye Irritation
in the Rabbit; Performed for Shell Chemical Co. (unpublished report).

Industrial Bio-Test Laboratories, Inc. (1975) Eye Irritation Test - Albino


Rabbits (unpublished report).

Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using


Multivariate Statistical Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E. Poling, Eds.

Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry and Physics. 79th ed. Boca
Raton, FL: CRC Press Inc., p. 3-233.

Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds. (1990) Handbook of Chemical
Property Estimation. Chapter 14. Washington, D.C.: American Chemical Society.

Maynert, E.W., Foreman, R.L., and Watabe, T. (1970) Epoxides as olbigatory


intermediates in the metabolism of olefins to glycols. J. Biological Chemistry
245(20): 5324-5238.

Meylan, W. and P. Howard (1995) Atom/fragment contribution method for estimating


octanol-water partition coefficients. J. Pharm. Sci. 84:83-92.

Meylan, W., P.H. Howard and R.S. Boethling (1992) Molecular topology/fragment
contribution method for predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7

Meylan, W.M. and Howard, P.H. (1993) Computer estimation of the atmospheric
gas-phase reaction rate of organic compounds with hydroxyl radicals and ozone.
Chemosphere 26: 2293-99

Meylan, W., P. Howard and R. Boethling (1996) Improved method for estimating
water solubility from octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.

Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved method for estimating


bioconcentration / bioaccumulation factor from octanol/water partition
coefficient. Environ. Toxicol. Chem. 18(4): 664-672

Morris, TD, Primary skin irritation study on rabbits of Neodene 8 alpha olefin.
Report ref: 91-8385-21 from Hill Top Biolabs Inc. to Shell Oil Company
(unpublished report).

UNEP PUBLICATIONS 297


OECD SIDS OCTENE
6. REFERENCES ID: 25377-83-7
DATE: 28.04.2005
Neely and Blau (1985) Environmental Exposure from Chemicals, Volume 1, p. 31,
CRC Press.

Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G. E. Blau, eds.


Environmental Exposure from Chemicals. Vol I., pp. 157-173. CRC Press, Boca
Raton, FL, USA.

NLM (2003a). CCRIS (Chemical Carcinogenesis Research Info System). U.S. National
Library of Medicine, Specialized Information Services, National Institutes of
Health, Department of Health and Human Services. September 2003
(http://toxnet.nlm.nih.gov).

NLM (2003b). Household Products Database. U.S. National Library of Medicine,


Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September, 2003. (http://toxnet.nlm.nih.gov).

NLM (2003c). TRI (Toxic Release Inventory). U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September 2003 (http://toxnet.nlm.nih.gov).

Ortiz de Montellano PR and Mico GA (1980). Destruction of cytochrome P-450 by


ethylene and other olefins. Mol. Pharmacol. 18 (1)128-135.

Shell Chemical Company MSDS

Shell Chemicals UK Ltd. Chester (cited in IUCLID)

Shell Development Company, Westhollow Research Center (1983) Guinea Pig Skin
Sensitization of NEODENE 8 Alpha Olefin (unpublished report).

Shell Development Company, Westhollow Research Center (1983) In Vitro


Chromosome Aberration Assay in Chinese Hamster Cells of NEODENE 8 Alpha Olefin
(unpublished report).

Shell Development Company, Westhollow Research Center (1983) Eye Irritation of


NEODENE 8 Alpha Olefin in the Rabbit (unpublished report).

Shell Development Company, Westhollow Research Center (1983) Acute Oral Toxicity
of NEODENE 8 Alpha Olefin in the Rat. (unpublished report).

Shell Development Company, Westhollow Research Center (1983) Acute Dermal


Toxicity of NEODENE 8 Alpha Olefin in the Rabbit. (unpublished report).

Shell Development Company, Westhollow Research Center (1983) Assay of NEODENE-8


Alpha Olefin for Gene Mutation in Salmonella typhymurium (unpublished report).

Shell Development Company, Westhollow Research Center (1983) Cell Transformation


Assay of NEODENE-8 Alpha Olefin in the Absence and Presence of Microsomal
Activation. Performed at Litton Bionetics, Inc., (unpublished report).

Stein, S. and R. Brown (1994) Estimation of normal boiling points from group
contributions (1994) J. Chem. Inf. Comput. Sci. 34: 581-587.

Til, H.P., et al. (1986) Sub-chronic (90-day) Oral Toxicity Study with Octene-1
in Rats. Conducted by Civo Institutes TNO, Report No. V 86.408/251091 for DSM,
Beek, the Netherlands, Project No. B 85-1091 (unpublished report).

Trent University (2004). Level I Fugacity-based Environmental Equilibrium


Partitioning Model (Version 3.00) and Level III Fugacity-based Multimedia
Environmental Model (Version 2.80.1.). Environmental Modeling Centre, Trent
University, Peterborough, Ontario. (Available at http://www.trentu.ca/cemc)

Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and H. Loonen (2000)


Predicting ready biodegradability in the MITI Test. Environ. Toxicol. Chem.
(accepted for publication)

298 UNEP PUBLICATIONS


OECD SIDS OCTENE
6. REFERENCES ID: 25377-83-7
DATE: 28.04.2005
Warne, M. St. J. Connell, D.W., Hawker, D. W., and G. Schuurmann (1989)
Quantitative Structure-Activity Relationships for the Toxicity of Selected Shale
Oil Components to Mixed Marine Bacteria. Ecotoxicology and Environmental
Safety, 17: 133-148.

Wilmer, J.W.G.M. (1986) Chromosome Analysis of Chinese Hamster Ovary Cells


Treated in Vitro with 1-Octene. Conducted by Civo Institutes TNO, Report No. V
86.168/251124, for DSM, Geleen, the Netherlands, Project No. B 85-1124
(Unpublished report).

Yalkowsky, S.H. and R.M. Dannenfelser (1992) AQUASOL dATAbASE of Aqueous


Solubility. Fifth ed. Tucson, AZ, University of Arizona, College of Pharmacy

Yaws, D.L. (1994) Cited in: EPIWIN (2000) Estimation Program Interface for
Windows, version 3.10. Syracuse Research Corporation, Syracuse, NY. USA.

Zahlsen, K., I. Eide, A.M. Nilsen and O.G. Nilsen (1993) Inhalation kinetics of
C8 to C10 1-alkenes and iso-alkanes in the rat after repeated exposures.
Pharmacology & Toxicology 73 :163-168

Zepp, R. G. and D. M. Cline (1977). Rates of Direct Photolysis in the Aqueous


Environment, Environ. Sci. Technol., 11:359-366.

UNEP PUBLICATIONS 299


OECD SIDS NONENE

SIDS DOSSIER
ON THE HPV CHEMICAL

NONENE

CAS No.: 27215-95-8


Contains Robust Summaries for the Following Substances:

CAS No. 27215-95-8, Nonene


CAS No. 124-11-8, 1-Nonene
CAS No. 68526-54-5, Alkenes, C7-9, C8 Rich
CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich
CAS No. 68526-56-7; Alkenes, C9-11, C10 Rich

Sponsor Country: USA

Date of submission to OECD: April 28, 2005

300 UNEP PUBLICATIONS


OECD SIDS NONENE
1. GENERAL INFORMATION ID: 27215-95-8
DATE: 28.04.2005
Substance Information

A. CAS Number: 27215-95-8

B. Name (OECD): Nonene

C. Name (IUPAC): Nonene

D. CAS Descriptor: Not applicable

E. EINECS Number: 248-339-5

F. Molecular Formula: C9 H18

G. Structural Formula: Various linear or branched isomers with internal


double bonds with the basic structure of CH3-CH=CH-
(CH2)5-CH3

Sponsor Country: United States of America

Lead Organisation:

Name of Lead Organisation: United States of America Environmental


Protection Agency
Contact person: Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
Address:
• Street: 1200 Pennsylvania Avenue, NW
• Postal code: 20460
• Town: Washington, D.C. 20460
• Country: United States of America
• Tel: (202) 564-7461

Name of Responder (Industry Consortium):

Name: American Chemistry Council (Higher Olefins Panel)


Contact: Mr. W. D. Anderson, Higher Olefins Panel Manager
Address:
• Street: 1300 Wilson Boulevard
• Postal code: 22209
• Town: Arlington, VA
• Country: United States of America
• Tel: (703)741-5616
• Fax: (703) 741-6091

Details on Chemical Category

This profile includes an evaluation of SIDS-level testing data, using a category


approach, with six individual internal olefins (C6 – C10 and C12), a C10 – 13
internal olefins blend and two linear alpha olefins (1-hexadecene and 1-
octadecene), all of which are monoolefins. The internal olefins are
predominantly linear, but may contain small amounts of branched materials. For
the purposes of the ICCA HPV Program, the category was defined as “Higher
Olefins.” The category designation was based on the belief that, within the C6
to C18 boundaries identified, internalizing the location of the carbon-carbon

UNEP PUBLICATIONS 301


OECD SIDS NONENE
1. GENERAL INFORMATION ID: 27215-95-8
DATE: 28.04.2005
double bond, increasing the length of the carbon chain, and/or changing the
carbon skeleton’s structure from linear to branched does not change the toxicity
profile, or changes the profile in a consistent pattern from lower to higher
carbon numbers. This expectation is supported by a large amount of existing data
for alpha and internal olefins with carbon numbers ranging from C6 to C24. The
members of the category are:

Hexene CAS # 25264-93-1


Heptene CAS # 25339-56-4
Octene CAS # 25377-83-7
Nonene CAS # 27215-95-8
Decene CAS # 25339-53-1
Dodecene CAS # 25378-22-7
Alkenes, C10-C13 CAS# 85535-87-1
1-Hexadecene CAS # 629-73-2
1-Octadecene CAS # 112-88-9

1.1 General Substance Information

A. Type of Substance

Element [ ]; Inorganic [ ]; Natural substance [ ]; Organic [X ];


Organometallic [ ];
Petroleum product [ ]

B. Physical State (at 20°C and 1.013 hPa)

Gaseous [ ]; Liquid [X ]; Solid [ ]

C. Purity:

No data available

1.2 Impurities

No data available

1.3 Additives

None

1.4 Synonyms

Some synonyms are: Nonene (mixed isomers)


Propylene trimer
Nonenes
Tripropylene

1.5 Quantity

Remarks: A Chemical Economics Handbook marketing report indicated that 2000


global production for nonene was approximately 1037 million pounds
(470,000 metric tons) with the United States accounting for almost
56% (SRI, 2001). U.S. production volume for nonene in 2002 provided
by the members of the American Chemistry Council’s Higher Olefins
Panel was 100-200 million pounds.

302 UNEP PUBLICATIONS


OECD SIDS NONENE
1. GENERAL INFORMATION ID: 27215-95-8
DATE: 28.04.2005
Reference: American Chemistry Council’s Higher Olefins Panel (2002)

1.6 Use Pattern

A. General Use Pattern

Type of Use: Category:

(a) Main Use in closed systems


Industrial Chemical industry – chemicals used in
synthesis
Use Intermediate

Remarks: Intermediate in the manufacture of


plasticizer alcohols and surfactants

(b) Main Non-dispersive use


Industrial Chemical industry – chemicals used in
synthesis
Use Intermediate

Remarks: Intermediate in the manufacture of


plasticizer alcohols and surfactants

Reference: American Chemistry Council’s Higher Olefins Panel (2002)

B. Uses In Consumer Products

Not applicable

1.7 Sources of Exposure

Source:

Remarks: This product is produced commercially in closed systems and is used


primarily as an intermediate in the production of other chemicals.
No non-intermediate applications have been identified. Any
occupational exposures that do occur are most likely by the
inhalation and dermal routes. It is a common practice to use
personal protective equipment. In the case of dermal exposures,
protective gloves would be worn due to the mildly irritating
properties of this class of chemicals (ACC Higher Olefins Panel).
Results from modelled data suggest that on-site waste treatment
processes are expected to remove this substance from aqueous waste
streams to the extent that it will not be readily detectable in
effluent discharge (EPIWIN, 2000). This substance is not on the US
Toxic Release Inventory (TRI) list (NLM, 2003). This olefin will not
persist in the environment because it can be rapidly degraded
through biotic and abiotic processes.

Reference: American Chemistry Council’s Higher Olefins Panel (2002)

1.8 Additional Information

A. Classification and Labelling

UNEP PUBLICATIONS 303


OECD SIDS NONENE
1. GENERAL INFORMATION ID: 27215-95-8
DATE: 28.04.2005
Classification

Type: as in Directive 67/548/EEC


Category of danger: Flammable, Harmful
R-phrases: (10) Flammable
(65) Harmful: may cause lung damage if swallowed

Labelling

Type: as in Directive 67/548/EEC


Specific limits: no
Symbols: Xn
Nota:
R-phrases: (10) Flammable
(65) Harmful: may cause lung damage if swallowed

S-phrases: (9) Keep container in a well ventilated place


(16) Keep away from sources of ignition – No smoking
(33) Take precautionary measures against static
discharges
(S62) If swallowed, do not induce vomiting: seek medical
advice immediately and show this container or label

B. Occupational Exposure Limits

Exposure Limit Value

Type: None available


Value:

Short Term Exposure Limit Value

Value: None available


Length of
exposure period:
Frequency:

C. Options For Disposal

Remarks: Incineration, diversion to other hydrocarbon uses

D. Last Literature Search

Type of search: Internal and external


Date of search: October 2003
Remark: Medline
IUCLID
TSCATS
ChemIDplus
AQUIRE - ECOTOX

304 UNEP PUBLICATIONS


OECD SIDS NONENE
2. PHYSICO-CHEMICAL DATA ID: 27215-95-8
DATE: 28.04.2005
2.1 Melting Point

A. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method/
guideline followed: Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.1
GLP: Not applicable
Year: Not applicable

Test Conditions: Melting Point is calculated by the MPBPWIN subroutine,


which is based on the average results of the methods of
K. Joback, and Gold and Ogle, and chemical structure.
Joback's Method is described in Joback, (1982). The Gold
and Ogle Method simply uses the formula Tm = 0.5839Tb,
where Tm is the melting point in Kelvin and Tb is the
boiling point in Kelvin. Program used the structure for
2-nonene.

Results
Melting point
value in °C: -56.70°C

Reliability: (2) Reliable with restrictions. The result includes


calculated data based on chemical structure as modeled
by EPIWIN.

Flag: Key study for SIDS endpoint

References: Joback, K.G. 1982. A Unified Approach to Physical


Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.

EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method/guideline followed: No data


GLP: No data
Year: No data

Test Conditions: No data

Results

UNEP PUBLICATIONS 305


OECD SIDS NONENE
2. PHYSICO-CHEMICAL DATA ID: 27215-95-8
DATE: 28.04.2005
Melting point value in °C: ca. –80 to -90 °C

Reliability: (4) Not assignable. These data were not reviewed


for quality.

References: Enichem S.p.A Milan , manufacturer’s data (cited


in IUCLID)

C. Test Substance

Identity: CAS 124-11-8, 1-Nonene

Method

Method/guideline followed: No data


GLP: No data
Year: No data

Test Conditions: No data

Results

Melting point value in °C: -81.3 °C

Reliability: (2) Reliable with restrictions. Reliable


secondary source. These data were not reviewed for
quality.

Flag: Key study for SIDS endpoint

References: Lide, D.R. (ed.) (1998-1999) CRC Handbook of


Chemistry and Physics. 79th ed. Boca Raton, FL: CRC
Press Inc., p. 3-225.

2.2 Boiling Point

A. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method/
guideline followed: Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.11
GLP: Not applicable
Year: Not applicable

Test Conditions: Boiling Point is calculated by the MPBPWIN subroutine,


which is based on the method of Stein and Brown (1994).
Program used the structure for 2-nonene.

Results
Boiling point
value in °C: 149.53°C
Pressure: 1013
Pressure unit: hPa

306 UNEP PUBLICATIONS


OECD SIDS NONENE
2. PHYSICO-CHEMICAL DATA ID: 27215-95-8
DATE: 28.04.2005

Reliability: (2) Reliable with restrictions. The result includes


calculated data based on chemical structure as modeled
by EPIWIN.

Flag: Key study for SIDS endpoint

References: Stein, S. and R. Brown (1994) Estimation of normal


boiling points from group contributions (1994) J. Chem.
Inf. Comput. Sci. 34: 581-587.
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method
Method: No data
GLP: No data
Year: No data

Test Conditions: No data

Results

Boiling point value: ca. 135 - 140°C


Pressure: 1013 hPa
Remarks:

Reliability: (4) Not assignable. These data were not reviewed for
quality.

References: Enichem S.p.A Milan , manufacturer’s data (cited in


IUCLID)

C. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method/guideline followed: No data


GLP: No data
Year: No data

Test Conditions: No data

Results

Boiling point value: 135 – 140°C


Pressure: 1013 hPa

UNEP PUBLICATIONS 307


OECD SIDS NONENE
2. PHYSICO-CHEMICAL DATA ID: 27215-95-8
DATE: 28.04.2005
Reliability: (2) Reliable with restrictions. Reliable
secondary source. These data were not reviewed for
quality.

Flag: Key study for SIDS endpoint

References: U.S. Coast Guard Department of Transportation.


CHRIS – Chemical Hazards Response Information
System Washington, DC, information last updated
2002, website:
http://www.chrismanual.com/default.htm.

2.3 Density

A. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method: No data
GLP: No data

Test Conditions: No data

Results

Type: Density
Value: ca. 0.74 – 0.747 g/cm3
Temperature (°C): 15°C

Reliability: (4) Not assignable. These data were not reviewed for
quality.

Reference: Enichem S.p.A Milan , manufacturer’s data (cited in


IUCLID)

B. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method: No data
GLP: No data

Test Conditions: No data

Results

Type: Specific gravity


Value: 0.739
Temperature (°C): 20°C

Reliability: (2) Reliable with restrictions. Reliable secondary


source. These data were not reviewed for quality.

Reference: U.S. Coast Guard Department of Transportation. CHRIS –


Chemical Hazards Response Information System Washington,

308 UNEP PUBLICATIONS


OECD SIDS NONENE
2. PHYSICO-CHEMICAL DATA ID: 27215-95-8
DATE: 28.04.2005
DC, information last updated 2002, website:
http://www.chrismanual.com/default.htm.

2.4 Vapour Pressure

A. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method/
guideline followed: Not reported
GLP: Not applicable
Year:

Test Conditions:

Results
Vapor Pressure
Value: 5.00 hPa
Temperature: 25°C
Remarks: Reported as 3.75 mm Hg (25°C)

Reliability: (2) Reliable with restrictions. The result is measured


data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

References: Weber, R.C. et al. (1981) Vapor Pressure Distribution


of Selected Organic Chemicals. USEPA –600/2-81-021,
Cincinnati, OH: USEPA pp.39; EPIWIN (2000). Estimation
Program Interface for Windows, version 3.11. EPI Suite™
software, U.S. Environmental Protection Agency, Office
of Pollution Prevention and Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method/
guideline followed: Not reported
GLP: Not applicable
Year:

Test Conditions:

Results
Vapor Pressure
Value: ca. 53.32 – 66.66 hPa
Temperature: 50°C

Reliability: (4) Not assignable. These data were not reviewed for
quality.

UNEP PUBLICATIONS 309


OECD SIDS NONENE
2. PHYSICO-CHEMICAL DATA ID: 27215-95-8
DATE: 28.04.2005
References: Enichem S.p.A Milan , manufacturer’s data (cited in
IUCLID)

C. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method/
guideline followed: Calculated value using the computer program
EPIWIN, MPBPWIN v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Vapor Pressure is calculated by the MPBPWIN subroutine,


which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985. The calculation used
a value for BP of 149.53 °C, estimated by EPIWIN using
the structure for 2-nonene.

Results

Vapor Pressure
value: 6.98 hPa
Temperature (°C ): 25°C
Remarks: Reported as 5.24 mm Hg

Reliability: (2) Reliable with restrictions. The result is


calculated data as modeled by EPIWIN and estimated data
from EPIWIN.

References: Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.


(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.

Neely and Blau (1985) Environmental Exposure from


Chemicals, Volume 1, p. 31, CRC Press.

EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

2.5 Partition Coefficient (log10Kow)

Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method: Calculated value using the computer program EPIWIN,


KOWWIN v 1.67
GLP: Not applicable
Year: Not applicable

310 UNEP PUBLICATIONS


OECD SIDS NONENE
2. PHYSICO-CHEMICAL DATA ID: 27215-95-8
DATE: 28.04.2005

Test Conditions: Octanol / Water Partition Coefficient is calculated by


the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). Program used the structure for 2-nonene.

Results

Log Kow: 4.55


Temperature (°C ): Not applicable

Reliability: (2) Reliable with restrictions. The result was


calculated based on chemical structure as modeled by
EPIWIN.

Flag: Key study for SIDS endpoint

Reference: Meylan, W. and P. Howard (1995) Atom/fragment


contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.

EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

2.6.1 Water Solubility (including *Dissociation Constant).

A. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method/
guideline followed: Calculated value using the computer program
EPIWIN, WSKOW v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Water Solubility is calculated by the WSKOW


subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996. The
calculation used an estimated Log Kow of 4.55
(EPIWIN) which was estimated using the structure
for 2-nonene.

Results

Value(mg/L) at
temperature ( °C): 3.619 mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result was


calculated using estimated data as modeled by
EPIWIN.

Flag: Key study for SIDS endpoint

UNEP PUBLICATIONS 311


OECD SIDS NONENE
2. PHYSICO-CHEMICAL DATA ID: 27215-95-8
DATE: 28.04.2005
References: Meylan, W., P. Howard and R. Boethling (1996)
Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.

EPIWIN (2000). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method/
guideline followed: Calculated value using the computer program
EPIWIN, WATERNT v 1.01
GLP: Not applicable
Year: Not applicable

Test Conditions: The calculation was based on chemical structure as


modeled by EPIWIN.

Results

Value(mg/L) at
temperature ( °C): 2.7615 mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result was


calculated based on chemical structure as modeled
by EPIWIN.

References: EPIWIN (2000). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

2.6.2 Surface tension

No data available

2.7 Flash Point (Liquids)

A. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method: No data
GLP:

Test Conditions: No data

Results

Value (°C): 25.6 °C

312 UNEP PUBLICATIONS


OECD SIDS NONENE
2. PHYSICO-CHEMICAL DATA ID: 27215-95-8
DATE: 28.04.2005
Type of test: Open cup

Reliability: (2) Reliable with restrictions. Reliable secondary


source. These data were not reviewed for quality.

Reference: U.S. Coast Guard Department of Transportation. CHRIS –


Chemical Hazards Response Information System Washington,
DC, information last updated 2002, website:
http://www.chrismanual.com/default.htm.

B. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method: Directive 84/449/EEC, A.9 “Flash point”


Year: 1985
GLP:

Test Conditions: No data

Results

Value (°C): ca. range 20-23°C


Type of test: Closed cup

Reliability: (4) Not assignable. These data were not reviewed for
quality.

Reference: Enichem S.p.A Milan , manufacturer’s data (cited in


IUCLID)

2.8 Auto Flammability (Solids/Gases)

Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method: Directive 84/449EEC, A.15 “Auto-flammability of volatile


liquids or gases”
GLP: No data

Test Conditions: No data

Results

Value (°C): ca. 245 – 420 °C


Pressure (hPa): No data

Reliability (4) Not assignable. These data were not reviewed for quality.

Reference: Enichem S.p.A Milan , manufacturer’s data (cited in IUCLID)

UNEP PUBLICATIONS 313


OECD SIDS NONENE
2. PHYSICO-CHEMICAL DATA ID: 27215-95-8
DATE: 28.04.2005
2.9 Flammability

Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method: No data
GLP: No data

Test Conditions: No data

Result: Highly flammable

Lower flammability limit: 0.7% in air (estimated)


Upper flammability limit: 3.9% in air (estimated)

Reliability: (2) Reliable with restrictions. Reliable secondary


source. Data were not evaluated for quality.

Reference: U.S. Coast Guard Department of Transportation. CHRIS –


Chemical Hazards Response Information System Washington,
DC, information last updated 2002, website:
http://www.chrismanual.com/default.htm.

2.10 Explosive Properties

No data available

2.11 Oxidising Properties

No data available

2.12 Oxidation-Reduction Potential

No data available

2.13 Additional Information

314 UNEP PUBLICATIONS


OECD SIDS NONENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 27215-95-8
DATE: 28.04.2005
3.1 Stability

A. Photodegradation

(1) Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method/
guideline followed: Other: Technical discussion

Type: water
GLP: Not applicable
Year: Not applicable

Test Conditions: Not applicable

Results

Direct photolysis: In the environment, direct photolysis will


not significantly contribute to the degradation of
constituent chemicals in the Higher Olefins
Category.

Remarks: The direct photolysis of an organic molecule


occurs when it absorbs sufficient light energy to
result in a structural transformation (Harris,
1982a). The reaction process is initiated when
light energy in a specific wavelength range
elevates a molecule to an electronically excited
state. However, the excited state is competitive
with various deactivation processes that can
result in the return of the molecule to a non
excited state.

The absorption of light in the ultra violet (UV)-


visible range, 110-750 nm, can result in the
electronic excitation of an organic molecule.
Light in this range contains energy of the same
order of magnitude as covalent bond dissociation
energies (Harris, 1982a). Higher wavelengths (e.g.
infrared) result only in vibrational and
rotational transitions, which do not tend to
produce structural changes to a molecule.

The stratospheric ozone layer prevents UV light of


less than 290 nm from reaching the earth's
surface. Therefore, only light at wavelengths
between 290 and 750 nm can result in photochemical
transformations in the environment (Harris,
1982a). Although the absorption of UV light in the
290-750 nm range is necessary, it is not always
sufficient for a chemical to undergo photochemical
degradation. Energy may be re-emitted from an
excited molecule by mechanisms other than chemical
transformation, resulting in no change to the
parent molecule.

UNEP PUBLICATIONS 315


OECD SIDS NONENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 27215-95-8
DATE: 28.04.2005
A conservative approach to estimating a
photochemical degradation rate is to assume that
degradation will occur in proportion to the amount
of light wavelengths >290 nm absorbed by the
molecule (Zepp and Cline, 1977).

Olefins with one double bond, such as the


chemicals in the Higher Olefins category, do not
absorb appreciable light energy above 290 nm. The
absorption of UV light to cause cis-trans
isomerization about the double bond of an olefin
occurs only if it is in conjugation with an
aromatic ring (Harris, 1982a).

Products in the Higher Olefins Category do not


contain component molecules that will undergo
direct photolysis. Therefore, this fate process
will not contribute to a measurable degradative
removal of chemical components in this category
from the environment.

Reliability: Not applicable

References: Harris J C (1982a). Rate of Aqueous


Photolysis. Chapter 8 in: W. J. Lyman, W. F.
Reehl, and D. H. Rosenblatt, eds., Handbook of
Chemical Property Estimation Methods, McGraw-Hill
Book Company, New York, USA.

Zepp, R. G. and D. M. Cline (1977). Rates of


Direct Photolysis in the Aqueous Environment,
Environ. Sci. Technol., 11:359-366.

(2) Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method/
guideline followed: Calculated values using AOPWIN version 1.91,
a subroutine of the computer program EIPWIN
version 3.11 which uses a program described by
Meylan, W.M. and Howard, P.H. (1993) Program
used the structure for 2-nonene.
Type: air
GLP: Nor applicable
Year: Not applicable

Results

Indirect photolysis

Sensitiser (type): OH
Rate Constant: 63.2401 E-12 cm3/molecule-sec (cis isomer)
Degradation % after: 50% after 2.030 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3) (cis isomer)
Rate Constant: 70.8401 E-12 cm3/molecule-sec (trans isomer)

316 UNEP PUBLICATIONS


OECD SIDS NONENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 27215-95-8
DATE: 28.04.2005
Degradation % after: 50% after 1.812 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3) (trans
isomer)

Sensitiser (type): Ozone


Rate Constant: 13 E-17 cm3/molecule-sec (cis isomer)
Degradation % after: 50% after 2.116 hrs (using avg. ozone conc.
of 7 E11 mol/cm3) (Cis isomer)
Rate Constant: 20 E-17 cm3/molecule-sec (trans isomer)
Degradation % after: 50% after 1.375 hrs (using avg. ozone conc.
of 7 E11 mol/cm3) (trans isomer)

Reliability: (2) Reliable with restrictions. The value was


calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.

Flag: Critical study for SIDS endpoint

References: Meylan, W.M. and Howard, P.H. (1993) Computer


estimation of the atmospheric gas-phase reaction
rate of organic compounds with hydroxyl radicals
and ozone. Chemosphere 26: 2293-99

EPIWIN (2000). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

B. Stability in Water

Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method/
guideline followed: Other – Technical Discussion

Test Conditions: Not applicable

Results: Not applicable

Remarks: Hydrolysis of an organic molecule occurs when a molecule


(R-X) reacts with water (H2O) to form a new carbon-
oxygen bond after the carbon-X bond is cleaved (Gould,
1959; Harris, 1982b). Mechanistically, this reaction is
referred to as a nucleophilic substitution reaction,
where X is the leaving group being replaced by the
incoming nucleophilic oxygen from the water molecule.

The leaving group, X, must be a molecule other than


carbon because for hydrolysis to occur, the R-X bond
cannot be a carbon-carbon bond. The carbon atom lacks
sufficient electronegativity to be a good leaving group
and carbon-carbon bonds are too stable (high bond
energy) to be cleaved by nucleophilic substitution.

UNEP PUBLICATIONS 317


OECD SIDS NONENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 27215-95-8
DATE: 28.04.2005
Thus, hydrocarbons, including alkenes, are not subject
to hydrolysis (Harris, 1982b) and this fate process will
not contribute to the degradative loss of chemical
components in this category from the environment.

Under strongly acidic conditions the carbon-carbon


double bond found in alkenes, such as those in the
Higher Olefins Category, will react with water by an
addition reaction mechanism (Gould, 1959). The reaction
product is an alcohol. This reaction is not considered
to be hydrolysis because the carbon-carbon linkage is
not cleaved and because the reaction is freely
reversible (Harris, 1982b). Substances that have a
potential to hydrolyze include alkyl halides, amides,
carbamates, carboxylic acid esters and lactones,
epoxides, phosphate esters, and sulfonic acid esters
(Neely, 1985).

The substances in the Higher Olefins Category are


primarily olefins that contain at least one double bond
(alkenes). The remaining chemicals are saturated
hydrocarbons (alkanes). These two groups of chemicals
contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic
mechanism discussed above. Therefore, chemicals in the
Higher Olefins Category have a very low potential to
hydrolyze, and this degradative process will not
contribute to their removal in the environment.

Conclusions: In the environment, hydrolysis will not contribute to


the degradation of nonene.

Reliability: Not applicable

References: Gould, E.S. (1959) Mechanism and Structure in Organic


Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.

Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in:


W.J. Lyman, W.F. Reehl, and D.H. Rosenblatt, eds.,
Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.

Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G.


E. Blau, eds. Environmental Exposure from Chemicals. Vol
I., pp. 157-173. CRC Press, Boca Raton, FL, USA.

C. Stability In Soil

No data available

3.2 Monitoring Data (Environment)

No data available.

3.3 Transport and Distribution

3.3.1 Transport between environmental compartments

318 UNEP PUBLICATIONS


OECD SIDS NONENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 27215-95-8
DATE: 28.04.2005

A. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Type: Fugacity models, Mackay Levels I and III

Remarks: Trent University model used for calculations. Half-lives in


water, soil and sediment estimated using EPIWIN (EPIWIN, 2000)

Chemical assumptions:

Molecular weight: 126


Water solubility: 3.619 g/m3
Vapor pressure: 500 Pa (25°C)
Log Kow: 4.55
Melting point: -56.7°C
Environment name: EQC Standard Environment

Half-life in air = 1.4 hr, half-life in water = 208 hr, half-


life in soil = 208 hr, half-life in sediment = 832 hr

All other parameters were default values. Emissions for Level


I = 1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).

Results Media: Air, soil, water and sediment concentrations were


estimated

Level I Level III


Air 99% <1%
Water <1% 41.2%
Soil <1% 52.6%
Sediment <1% 5.2%

Remarks: Since default assumptions for release estimates were used,


resulting environmental concentrations are not provided.

Conclusions: These results indicated that nonene will partition


primarily to air under equilibrium conditions (Level I model),
but primarily to water and soil under the assumed pattern of
chemical release (equal loading of water, soil and air) in the
Level III model.

Reliability: (2) Valid with restrictions: Data are calculated.

Flag: Critical study for SIDS endpoint

References: Trent University (2004). Level I Fugacity-based Environmental


Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version 2.80.1.
Environmental Modeling Centre, Trent University, Peterborough,
Ontario. (Available at http://www.trentu.ca/cemc)

EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.

UNEP PUBLICATIONS 319


OECD SIDS NONENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 27215-95-8
DATE: 28.04.2005

B. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Type: Volatilization from water

Remarks: Calculated values using AOPWIN version 1.90, a


subroutine of the computer program EIPWIN version 3.11
which uses a program described by Meylan, W.M. and
Howard, P.H. (1993) based on
Henry’s Law Constant of 0.99 atm-m3/mole (estimated by
Bond SAR method using HENRYWIN program) and EPIWIN
default values

Results: Half-life from a model river: 1.147 hrs


Half-life from a model lake: 4.4 days

Reliability: (2) Valid with restrictions. Values are


calculated.

References: Meylan, W.M. and Howard, P.H. (1993) Computer


estimation of the atmospheric gas-phase reaction rate of
organic compounds with hydroxyl radicals and ozone.
Chemosphere 26: 2293-99

EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

3.3.2 Distribution

A. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method: Adsorption Coefficient (Koc) calculated value using the


computer program EPIWIN, PCKOC v 1.66, using the method
described by Meylon et al., 1992.

Test Conditions: Based on chemical structure. Program used the structure


for 2-nonene.

Results

Value: Estimated Koc = 935

Reliability: (2) Reliable with restrictions. Value is calculated.

Reference: Meylan, W., P.H. Howard and R.S. Boethling (1992)


Molecular topology/fragment contribution method for
predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7

320 UNEP PUBLICATIONS


OECD SIDS NONENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 27215-95-8
DATE: 28.04.2005
EPIWIN (2000). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method: Henry’s Law Constant calculated value using the computer


program EPIWIN, HENRY v 3.10

Test Conditions: Bond and Group estimates based on chemical structure, at


25°C; VP/water solubility estimates based on EPIWIN
values of VP = 5.24 mm Hg and WS = 3.62 mg/L.

Results

Value: Bond estimate = 0.990 atm-m3/mole


Group estimate = 1.04 atm-m3/mole
VP/Wsol estimate = 0.2405 atm-m3/mole

Reliability: (2) Reliable with restrictions. Values are calculated.

Reference: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

3.4 Aerobic Biodegradation

A. TEST SUBSTANCE

Identity: CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich

Method

Method/guideline: OECD 301F, Ready Biodegradability, Manometric


Respirometry Test
Type: Aerobic [X ] Anaerobic [ ]
GLP: Yes
Year: 1995
Contact time: 28 days
Inoculum: Domestic activated sludge

Test Conditions: Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride).

Test vessels were 1L glass flasks placed in a waterbath


and electronically monitored for oxygen consumption.

UNEP PUBLICATIONS 321


OECD SIDS NONENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 27215-95-8
DATE: 28.04.2005
Test material was tested in triplicate, controls and
blanks were tested in duplicate. Test material loading
was approximately 32 mg/L. [Reason for using 32 mg/L
instead of 100 mg/L: Substances such as this test
material typically have ThODs between 2 and 3 mg per mg
substance. Thus, the test material concentration was
adjusted for a target of 100 mg THOD/L] Sodium benzoate
(positive control) concentration was approximately 44
mg/L. Test temperature was 22 +/- 1 Deg C.

All test vessels were stirred constantly for 28 days


using magnetic stir bars and plates.

Results: Approximately 29% biodegradation of the test material


was measured on day 28. Approximately 10% biodegradation
was achieved on day 17.

By day 14, >60% biodegradation of the positive control


was measured, which meets the guideline requirement. No
excursions from the protocol were noted.

Biodegradation was based on oxygen consumption and the


theoretical oxygen demand of the test material as
calculated using results of an elemental analysis of the
test material.

% Degradation* Mean %
Degradation
Sample (day 28) (day 28)
Test Material 44.1, 28.6, 15.0 29.2
Na Benzoate 98.9, 95.5 97.2

* replicate data

Reliability: (2) Reliable with restrictions: The range in


biodegradation values is not less than 20% as required
in the OECD test guideline.

Flag: Key study for SIDS endpoint

Reference: Exxon Biomedical Sciences, Inc. (1997) Ready


Biodegradability: OECD 301F Manometric Respirometry.
Study #119194A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).

B. TEST SUBSTANCE

Identity: CAS No. 68526-56-7; Alkenes, C9-11, C10 Rich

Method

Method/guideline: OECD 301F, Ready Biodegradability, Manometric


Respirometry Test
Type: Aerobic [X ] Anaerobic [ ]
GLP: Yes
Year: 1995
Contact time: 28 days
Inoculum: Domestic activated sludge

322 UNEP PUBLICATIONS


OECD SIDS NONENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 27215-95-8
DATE: 28.04.2005

Test Conditions: Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride).

Test vessels were 1L glass flasks placed in a waterbath


and electronically monitored for oxygen consumption.

Test material was tested in triplicate, controls and


blanks were tested in duplicate. Test material loading
was approximately 42 mg/L. [Reason for using 42 mg/L
instead of 100 mg/L: Substances such as this test
material typically have ThODs between 2 and 3 mg per mg
substance. Thus, the test material concentration was
adjusted for a target of 100 mg THOD/L] Sodium benzoate
(positive control) concentration was approximately 44
mg/L. Test temperature was 22 +/- 1 Deg C.

All test vessels were stirred constantly for 28 days


using magnetic stir bars and plates.

Results: Approximately 21% biodegradation of the test material


was measured on day 28. Approximately 10% biodegradation
was achieved on day 17.

By day 14, >60% biodegradation of the positive control


was measured, which meets the guideline requirement. No
excursions from the protocol were noted.

Biodegradation was based on oxygen consumption and the


theoretical oxygen demand of the test material as
calculated using results of an elemental analysis of the
test material.

% Degradation* Mean %
Degradation
Sample (day 28) (day 28)
Test Material 20.9, 19.9, 22.6 21.1
Na Benzoate 98.9, 95.5 97.2

* replicate data

Reliability: (1) Reliable without restriction

Flag: Key study for SIDS endpoint

Reference: Exxon Biomedical Sciences, Inc. (1997) Ready


Biodegradability: OECD 301F Manometric Respirometry.
Study #119294A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).

C. Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

UNEP PUBLICATIONS 323


OECD SIDS NONENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 27215-95-8
DATE: 28.04.2005
Method/guideline: Estimated using the computer program EPIWIN v
3.10, BIOWIN v 4.01

Type: Aerobic

Test Conditions: Estimates use methods described by Howard et al., 1992;


Boethling et al., 1994; and Tunkel et al., 2000.
Estimates are based upon fragment constants that were
developed using multiple linear and non-linear
regression analyses.

Results: Linear model prediction: Biodegrades fast


Non-linear model prediction: Biodegrades fast
Ultimate biodegradation timeframe: Days-Weeks
Primary biodegradation timeframe: Days
MITI linear model prediction: Biodegrades fast
MITI non-linear model prediction: Biodegrades fast

Reliability: (2) Reliable with restriction: Results are


estimated.

Reference: Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J.


Beaumann and N. Tirado (1994) Group contribution method
for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.

Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M.


Meylan, A.E. Hueber, J.A. Beauman and M.E. Larosche
(1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data.
Environ. Toxicol. Chem. 11:593-603.

Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and


H. Loonen (2000) Predicting ready biodegradability in
the MITI Test. Environ. Toxicol. Chem. (accepted for
publication)

EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

3.8 BOD5, COD or ratio BOD5/COD

No data available

3.6 Bioaccumulation

Test Substance

Identity: CAS No. 27215-95-8, Nonene

Method

Method: BCF calculated value using the computer program EPIWIN, BCF v
2.15

324 UNEP PUBLICATIONS


OECD SIDS NONENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 27215-95-8
DATE: 28.04.2005
Test Conditions: Based on chemical structure and a Log Kow of 4.55 (estimated
data from EPIWIN) using methods described by Meylan et al.,
1999. Formula used to make BCF estimate: Log BCF = 0.77 log
Kow – 0.70 with no correction factor.

Results

Value: Estimated Log BCF = 2.801 (BCF = 631.9)

Reliability: (2) Reliable with restrictions. Value is calculated.

Reference: Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved


method for estimating bioconcentration / bioaccumulation
factor from octanol/water partition coefficient. Environ.
Toxicol. Chem. 18(4): 664-672

EPIWIN (2000). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

3.7 Additional Information

A. Sewage Treatment

Test Substance

Identity: CAS No. 27215-95-8, Nonene

Test Method: Calculated, EPIWIN STP Fugacity Model, predicted fate in


a wastewater treatment facility.
Input values: MW = 126.24; Henry’s LC = 0.99 atm-m3/mol; air-
water partition coefficient = 40.4881; Log Kow = 4.55;
biomass to water partition coefficient = 7097.07;
temperature = 25°C
GLP: No
Test Medium: Secondary waste water treatment (water)
Test Type: Aerobic

Test Results: 99.81 % removed from wastewater treatment

Reference: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

UNEP PUBLICATIONS 325


OECD SIDS NONENE
4. ECOTOXICITY ID: 27215-95-8
DATE: 28.04.2005
4.1 Acute Toxicity to Fish

A. Test Substance

Identity: CAS No. 68526-54-5; Alkenes, C7-9, C8 Rich

Method

Method/guideline: OECD 203


Test type: Semistatic Fish Acute Toxicity Test
GLP: Yes [X ] No [ ]
Year: 1995
Species/Strain: Rainbow Trout (Oncorhynchus mykiss)
Analytical Monitoring: Yes
Exposure period: 96 hours
Statistical methods: Trimmed Spearman-Karber Method (Hamilton, M.A. et
al. 1977. Trimmed Spearman-Karber Method for Estimating
Median Lethal Concentration in Toxicity Bioassays.
Environ. Sci. Technol. 11:714-719.)

Test Conditions: Each test solution was prepared by adding the test
substance, via syringe, to 19.5 L of laboratory blend
water in 20 L glass carboys. The solutions were mixed
for 24 hours with a vortex of <10%. Mixing was performed
using a magnetic stir plate and Teflon coated stir bar
at room temperature (approximately 22C). After mixing,
the solutions were allowed to settle for one hour after
which the Water Accommodated Fraction (WAF) was siphoned
from the bottom of the mixing vessel through a siphon
that was placed in the carboy prior to adding the test
material. Test vessels were 4.0 L aspirator bottles that
contained approximately 4.5 L of test solution. Each
vessel was sealed with no headspace after 4 fish were
added. Three replicates of each test material loading
were prepared. Approximately 80% of each solution was
renewed daily from a freshly prepared WAF.

Test material loading levels included: 2.6, 4.3, 7.2,


12, and 20 mg/L, which measured 0.2, 0.4, 0.7, 1.2, and
2.5 mg/L, respectively, and are based on the mean of
samples taken from the new and old test solutions. A
control containing no test material was included and the
analytical results were below the quantitation limit,
which was 0.2 mg/L.

Water hardness was 174-178 mg/L as CaCO3. Test


temperature was 15C (sd = 0.09). Lighting was 578 to 580
Lux with a 16-hr light and 8-hr dark cycle. Dissolved
oxygen ranged from 8.5 to 10.2 mg/L for "new" solutions
and 6.5 to 8.5 mg/L for "old" solutions. The pH ranged
from 7.0 to 8.8 for "new" solutions and 7.0 to 8.4 for
"old" solutions.

Fish supplied by Thomas Fish Co. Anderson, CA, USA; age


at test initiation = approximately 5 weeks; mean wt. at
test termination = 0.272 g; mean total length at test
termination = 3.5 cm; test loading = 0.24 g of fish/L.
The fish were slightly shorter than the guideline
suggestion of 4.0 to 6.0 cm, which were purposely
selected to help maintain oxygen levels in the closed

326 UNEP PUBLICATIONS


OECD SIDS NONENE
4. ECOTOXICITY ID: 27215-95-8
DATE: 28.04.2005
system. Fish size had no significant effect on study
outcome.

Results: 96-hour LL50 = 8.9 mg/L (95% CI 9.9 to 13.3 mg/L) based
upon loading rates.
96-hour LC50 = 0.87 mg/L (95% CI 0.79 to 0.96 mg/L)
based upon measured values of old and new solutions.

Analytical method used was Headspace Gas Chromatography


with Flame Ionization Detection (GC-FID).

Loading Measured Fish Total


Rate (mg/L) Conc. (mg/L) Mortality (@96 hrs)*
Control Control 0
2.6 0.2 0
4.3 0.4 0
7.2 0.7 1
12 1.2 12
20 2.5 12

* 12 fish added at test initiation

Reliability: (1) Reliable without restriction

Flag: Key study for SIDS endpoint

References: Exxon Biomedical Sciences, Inc. (1996) Fish, Acute


Toxicity Test. Study #119158. Exxon Biomedical Sciences,
Inc., East Millstone, NJ, USA (unpublished report).

B. Test Substance

Identity: CAS No. 68526-56-7; Alkenes, C9-11, C10 Rich

Method

Method/guideline: OECD 203


Test type: Semistatic Fish Acute Toxicity Test
GLP: Yes [X ] No [ ]
Year: 1995
Species/Strain: Rainbow Trout (Oncorhynchus mykiss)
Analytical Monitoring: Yes
Exposure period: 96 hours
Statistical methods: Trimmed Spearman-Karber Method (Hamilton, M.A. et
al. 1977. Trimmed Spearman-Karber Method for
Estimating Median Lethal Concentration in Toxicity
Bioassays. Environ. Sci. Technol. 11:714-719.)

Test Conditions: Each test solution was prepared by adding the test
substance, via syringe, to 19.5 L of laboratory blend
water in 20 L glass carboys. The solutions were mixed
for 24 hours with a vortex of <10%. Mixing was performed
using a magnetic stir plate and Teflon coated stir bar
at room temperature (approximately 22C). After mixing,
the solutions were allowed to settle for one hour after
which the Water Accommodated Fraction (WAF) was siphoned
from the bottom of the mixing vessel through a siphon
that was placed in the carboy prior to adding the test
material. Test vessels were 4.0 L aspirator bottles that

UNEP PUBLICATIONS 327


OECD SIDS NONENE
4. ECOTOXICITY ID: 27215-95-8
DATE: 28.04.2005
contained approximately 4.5 L of test solution. Each
vessel was sealed with no headspace after 4 fish were
added. Three replicates of each test material loading
were prepared. Approximately 80% of each solution was
renewed daily from a freshly prepared WAF.

Test material loading levels included: 0.2, 0.4, 1.2,


3.5, and 10 mg/L, which measured 0.01, 0.03, 0.06, 0.08,
and 2.6 mg/L, respectively, and are based on the mean of
samples taken from the new and old test solutions. A
control containing no test material was included and the
analytical results were below the quantitation limit,
which was 0.03 mg/L.

Water hardness was 160-180 mg/L as CaCO3. Test


temperature was 16C (sd = 0.2). Lighting was 445 to 555
Lux with a 16-hr light and 8-hr dark cycle. Dissolved
oxygen ranged from 8.7 to 9.9 mg/L for "new" solutions
and 7.2 to 8.5 mg/L for "old" solutions. The pH ranged
from 7.0 to 8.8 for "new" solutions and 7.3 to 8.7 for
"old" solutions.

Fish supplied by Thomas Fish Co. Anderson, CA, USA; age


at test initiation = approximately 5 weeks; mean wt. at
test termination = 0.175 g; mean total length at test
termination = 3.0 cm; test loading = 0.19 g of fish/L.
The fish were slightly shorter than the guideline
suggestion of 4.0 to 6.0 cm, which were purposely
selected to help maintain oxygen levels in the closed
system. Fish size had no significant effect on study
outcome.

Results: 96-hour LL50 = 4.8 mg/L (95% CI 3.8 to 6.0 mg/L) based
upon loading rates.
96-hour LC50 = 0.12 mg/L (95% CI 0.11 to 0.14 mg/L)
based upon measured values of old and new solutions.

Analytical method used was Headspace Gas Chromatography


with Flame Ionization Detection (GC-FID).

Loading Measured Fish Total


Rate (mg/L) Conc. (mg/L) Mortality (@96 hrs)*
Control Control 0
0.2 0.01 0
0.4 0.03 0
1.2 0.06 0
3.5 0.08 3
10 0.26 15**

* 15 fish added at test initiation


** 1 mortality not test related

Reliability: (1) Reliable without restriction

Flag: Key study for SIDS endpoint

References: Exxon Biomedical Sciences, Inc. (1996) Fish, Acute


Toxicity Test. Study #119258. Exxon Biomedical Sciences,
Inc., East Millstone, NJ, USA (unpublished report).

328 UNEP PUBLICATIONS


OECD SIDS NONENE
4. ECOTOXICITY ID: 27215-95-8
DATE: 28.04.2005
C. Test Substance

Identity: CAS No. 124-11-8, 1-Nonene

Method

Method/guideline: 96 hour semistatic toxicity test


Test type: semistatic
GLP: No
Year: 1985
Species/Strain: Brachydanio rerio (zebra fish)
Analytical Monitoring: No
Exposure period: 96 hr
Statistical methods: The LL50 values were calculated by means of a
parametric model developed by Kooijman [Kooijman,
S.A.L.M. (1981) Parametric analyses of mortality
rates in bioassays. Water Res. 15:105-119.]

Test Conditions: The test animals were 4-6 weeks old, 3 + 1 cm,
born and grown in the laboratory in fresh-water.
Necessary amounts of test material were added to 1 L
fresh water (pH ~8, hardness ~210 mg CaCO3 per liter) in
glass stoppered conical flasks and stirred for 4 hr
before adding test animals (10/ flask). Test
conditions: 24°C; no aeration, food, or replicate; test
medium renewed daily. At none of the dose levels was
test substance visible during the test period. pH and
oxygen were monitored. The target for oxygen
concentration was 70% of the saturation level. The
concentrations tested: 0, 3.2, 10, and 32 mg/L
(nominal).

Results: LL50 (24 hr) estimated to be about 11 mg/L (LL0 = 3.2


mg/L, LL100 = 32 mg/L)
LL50 (48 hr) estimated to be about 6 mg/L (LL0 = 3.2 mg/L,
LL100 = 10 mg/L)
LL50 (72 hr) < 3.2 mg/L (LL0 < 3.2 mg/L)
LL50 (96 hr) < 3.2 mg/L (LL0 < 3.2 mg/L)

NOEC (96 hr) < 3.2 mg/L (nominal)

Remarks: Assessment of condition of test animals compared to the


controls was by visual estimation.

Reliability: (2) Reliable with restrictions. Study does not totally


comply with current testing guidelines. No chemical
analyses were performed.

References: Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity


of compounds that may be carried by ships [MARPOL
1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).

4.2 Acute Toxicity to Aquatic Invertebrates (e.g. Daphnia)

Test Substance

Identity: CAS No. 124-11-8, 1-Nonene

UNEP PUBLICATIONS 329


OECD SIDS NONENE
4. ECOTOXICITY ID: 27215-95-8
DATE: 28.04.2005

Method

Method/guideline: 48-hr static toxicity test


Test type: Static
GLP: No
Year: 1985
Analytical Monitoring: No
Species/Strain: Daphnia magna
Exposure period: 48 hrs
Statistical methods: The EL50 values were calculated by means of a parametric
model developed by Kooijman [Kooijman, S.A.L.M. (1981)
Parametric analyses of mortality rates in bioassays. Water
Res. 15:105-119.]

Test Conditions: Test media were prepared by adding test material to 500 ml of
fresh water (pH ~8, hardness ~210 mg CaCO3 per liter) in a
glass-stoppered conical flask and stirring for 4 hr before
adding test animals (25/ flask). Test conditions: 20 °C; no
aeration, food, replicate or media renewal. The test animals
were less than 24 hr old at the start of the test, from a
laboratory culture in standard fresh water. At none of the
dose levels was test substance visible during the test period.
pH and oxygen were monitored. During the test, the oxygen
concentration was >70% of the saturation level. The
concentrations tested: 0, 3.2, and 10 mg/L (nominal).

Results: EL50 (48 hr) < 3.2 mg/L (estimated to be about 2) (EL0 <3.2
mg/L, EL10
= 10 mg/L)
NOEC (48 hr) < 3.2 mg/L (nominal)

Remarks: Assessment of condition of test animals compared to controls


was by visual estimation.

Reliability: (2) Reliable with restrictions. Study does not totally comply
with current testing guidelines. No chemical analyses were
performed.

References: Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity of


compounds that may be carried by ships [MARPOL 1973; Annex
II]. TNO report R 85/217, The Hague (unpublished report).

4.3 Toxicity to Aquatic Plants (e.g. Algae)

No data available.

4.4 Toxicity to Micro-organisms, e.g. Bacteria

No data available

4.5 Chronic Toxicity to Aquatic Organisms

A. Chronic Toxicity to Fish

Test Substance: CAS No. 27215-95-8, Nonene

330 UNEP PUBLICATIONS


OECD SIDS NONENE
4. ECOTOXICITY ID: 27215-95-8
DATE: 28.04.2005

Method/Guideline:

Type (test type): 30-day Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000)

Species: Fish

Test Conditions: The program uses structure-activity relationships (SARs)


to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 4.55, which was estimated by EPIWIN using the
structure for 2-nonene.

Results:

Units/Value: Estimated 30-day ChV = 73 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is calculated


data.

Reference: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Chronic Toxicity to Invertebrates

Test Substance: CAS No. 27215-95-8, Nonene

Method/Guideline:

Type (test type): 16-day EC50 value calculated using the computer program
ECOSAR, version 0.99g included in the EPI Suite
software, v 3.11 (EPIWIN, 2000)

Species: Daphnia magna

Test Conditions: The program uses structure-activity relationships (SARs)


to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow

UNEP PUBLICATIONS 331


OECD SIDS NONENE
4. ECOTOXICITY ID: 27215-95-8
DATE: 28.04.2005
value of 4.55, which was estimated by EPIWIN using the
structure for 2-nonene.

Results:

Units/Value: Estimated 16-day EC50 = 75 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is calculated


data.

Reference: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

4.6 Toxicity to Terrestrial Organisms

A. Toxicity to Terrestrial Plants.

Test Substance: CAS No. 27215-95-8, Nonene

Method/Guideline:

Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000)

Species: Green algae

Test Conditions: The program uses structure-activity relationships (SARs)


to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 4.55, which was estimated by EPIWIN using the
structure for 2-nonene.

Results:

Units/Value: Estimated 96-hr ChV = 152 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is calculated


data.

Reference: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

332 UNEP PUBLICATIONS


OECD SIDS NONENE
4. ECOTOXICITY ID: 27215-95-8
DATE: 28.04.2005
B. Toxicity to Soil Dwelling Organisms.

No data available

C. Toxicity to Other Non Mammalian Terrestrial Species (including Avian)

No data available

4.7 Biological Effects Monitoring (including Biomagnification)

No data available

4.8 Biotransformation and Kinetics

No data available

UNEP PUBLICATIONS 333


OECD SIDS NONENE
5. TOXICITY ID: 27215-95-8
DATE: 28.04.2005
5.1 Toxicokinetics, Metabolism and Distribution

A. Test Substance: CAS No. 111-66-0, 1-Octene, >99%; CAS No. 124-11-8, 1-
Nonene,
>99%; CAS No. 872-05-9, 1-Decene, >98% (tested
individually)

Method Non-standard
Test Type in-vivo
GLP No data
Year No data

Method: Animals were exposed via inhalation to individual


hydrocarbons in 6 separate experiments with equal design
except for the choice of test substance. Animals were
killed by decapitation, and blood and organ samples were
obtained within 3 minutes after removal of an animal
from the chamber. Food and water were available ad
libitum except during exposure. Dynamic exposure of the
animals was performed in 0.7 m3 steel chambers.
Temperature and humidity were kept within 23±1°C and
70±20% RH, respectively. The aimed concentration of 100
ppm was maintained by mixing a controlled stream of air
saturated with the test substance under a constant
temperature and flow with the main stream of dust
filtered air (5 m3/hr) before entering at the top of the
chamber. The concentration of hydrocarbons in the
chambers was monitored by on-line gas chromatography at
15 minute intervals. The concentration of hydrocarbons
in tissues was determined by headspace gas
chromatography. Two ml of blood or organ homogenate (or
0.25 g perirenal fat tissue) was equilibrated in 15 ml
headspace vials for 1 hr at 37 or 60 °C together with
calibration samples and blanks. 0.5 ml was taken from
the headspace by prewarmed gas tight syringe and
injected into a Shimadzu GC 9A gas chromatograph (FID).
Separation was performed on a 2 m x 1/8” stainless steel
column packed with GP 10% SP-2100 on Supelcoport 100/120
mesh with nitrogen as carrier gas. In blood, the
calibration curves covered a range from 0.5 – 100
µmol/kg, in organs from 1 – 500 µmol/kg and in fat from
5 – 10000 µmol/kg. In blood and organs, the detection
limits generally were within the range from 0.1 to 1
µmol/kg; in fat from 1 to 10 µmol/kg.

Test Conditions:

Species: Rat

Strain: Sprague-Dawley

Sex: Male

Age: No data

Bodyweight: 150 – 200 g at start of each experiment

Number of Animals: 4 per exposure

Route: Inhalation

334 UNEP PUBLICATIONS


OECD SIDS NONENE
5. TOXICITY ID: 27215-95-8
DATE: 28.04.2005

Dose(s) used: 100 ppm for 3 days, 12 hr/day

Statistical Methods: None reported

Actual Dose(s): For the 3 days exposure period, the mean chamber
concentration was 99.3 ppm

Body Fluids Sampled: Blood sampled at days 1, 2, and 3, immediately


after exposure and 12 hr after exposure on day 3

Tissues Sampled: Brain, liver, kidney, fat; sampled at days 1, 2, and 3,


immediately after exposure and 12 hr after exposure on
day 3

Results: No systematic increase or decrease in biological


concentrations was observed during the exposure period
except for fat. With the exception for the kidney, the
concentration increased with increasing number of carbon
atoms within each structure group. The organ
concentrations generally exceeded blood by factors
ranging from 3 to 10.The C9 and C10 1-alkenes showed an
increased accumulation in fat during the 3 days exposure
period, in contrast to the C8 1-alkene, where a
saturation seemed to occur. In fat, the concentrations
of all hydrocarbons were 4-20 times the concentrations
found in other organs. The 1-alkenes demonstrated high
concentrations in fat 12 hr after exposure. After the
recovery period, these concentrations were 31, 46, and
66% for C8, C9 and C10 1-alkenes, respectively, of the
concentrations on day 3.

Concentrations of individual 1-alkenes after the third daily 12 hr


exposure to 100 ppm and after 12 hr recovery (n=4)a
1-Octene 1-Nonene 1-Decene
After After 12 After After 12 After After 12
third hr third hr third hr
exposure recovery exposure recovery exposure recovery
Blood 12.4 0.1 15.9 0.4 16.4 0.7
Brain 69.7 0.5 116.3 2.7 138.1 6.3
Liver 78.9 nd 130.4 1.1 192.8 4.0
Kidney 139.3 0.9 146.7 4.6 162.0 9.3
Fat 720 226 2068 953 2986 1971
a
All concentrations are in µmol/kg; nd = not detectable (limit of
detection varied between substances and organs: in blood and organs
generally within range from 0.1 – 1 µmol/kg; in fat from 5 – 10
µmol/kg)

Reliability: (1) Reliable without restrictions.

Reference: Zahlsen, K., I. Eide, A.M. Nilsen and O.G. Nilsen (1993)
Inhalation kinetics of C8-C10 1-alkenes and iso-alkanes
in the rat after repeated exposures. Pharmacology &
Toxicology 73:163-168.

UNEP PUBLICATIONS 335


OECD SIDS NONENE
5. TOXICITY ID: 27215-95-8
DATE: 28.04.2005

B. Test Substance: CAS No. 592-76-7, 1-Heptene ; CAS No. 2216-38-8, 2-


Nonene;
CAS No. 592-47-2, 3-Hexene; CAS No. 16746-85-3, 4-Ethyl-
1-Hexene; CAS No. 15870-10-7, 2-Methyl-1-Heptene, CAS
No. 3404-77-13, 3-dimethyl-1-hexene; 3-methyl-1-octene
(tested individually)

Method Non-standard
Test Type in-vitro and in-vivo
GLP No data available
Year Unknown

Method: In-vitro: Incubation of hepatic microsomes from rats in


the presence of alkenes and NADPH with analysis for
presence of cytochrome P-450.

In-vivo: Phenobarbital-treated rats were injected i.p.


with 1-heptene, cis and trans 2-nonene, 4-ethyl-1-
hexene, and 3-methyl-1-octene at a dose of 400 µl/kg.
Four hrs after treatment, animals were sacrificed and
livers were analyzed for the presence of abnormal
hepatic pigments. These pigments have been shown to be
porphyrins derived from the prosthetic heme moiety of
inactivated P-450 enzymes.

Test Conditions:

Results: In vitro: Hepatic microsomal cytochrome P-450 was


destroyed in vitro,

in the presence of NADPH, by 4-ethyl-1-hexene, 3-methyl-


1-octene, and 1-heptene. The cis- and trans-2-nonenes
exhibited marginal destructive activity (10% loss after
30 minutes). No significant cytochrome P-450 loss was
observed after incubation with 2-methyl-1-heptene, 3,3-
dimethyl-1-hexene or 3-hexene, suggesting that steric
and electronic factors can suppress the destructive
interaction. The epoxides of 3 of the terminal olefin
substrates were synthesized and shown not to intervene
in destruction of the enzyme by the parent olefins.

In vivo: Hepatic green pigments were formed after


administration of 4-ethyl-1-hexene, 3-methyl-1-octene
and 1-heptene, indicating destruction of the P-450
enzyme. The cis- and trans-2-nonenes produced no
abnormal pigments.

Reliability: (1) Reliable without restrictions

Reference: Ortiz de Montellano, P.R., and Mico, G.A. (1980)


Destruction of cytochrome P-450 by ethylene and other
olefins. Mol. Pharmacol. 18(1)128-135.

5.2 Acute Toxicity

A. Acute oral toxicity

336 UNEP PUBLICATIONS


OECD SIDS NONENE
5. TOXICITY ID: 27215-95-8
DATE: 28.04.2005
Test Substance

Identity (purity): CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich

Method

Method/guideline: NA
Type (test type): LD50
GLP: Pre-GLP
Year: 1957
Species/Strain: Holtzman Rat
Sex: Males
No. of animals per
sex per dose: 5

Vehicle: 0.5% aqueous methyl cellulose solution


Route of
administration: Oral gavage

Test Conditions: Dose levels tested were 10.0, 31.6, 100, 316, 1000, and
3160 µl/kg of body weight. The test material was
administered as a 0.1, 1.0, or 10% volume/volume
suspension in a 0.5% aqueous methyl cellulose solution.
The by-weight equivalent doses were 7.4, 23.3, 73.8,
233, 738, and 2332 mg/kg. For the purpose of this
study, the test material was considered to be free of
impurities. Age of the test animals was not reported.
Body weights ranged from 104 to 117g at initiation of
the study. Control group and Treatment: For comparison,
untreated animals were necropsied at the end of the
study. Prior to dosage, food was withheld from the
animals for three hours. Following exposure, food and
water were available at all times. The animals were
observed for gross effects and mortality several times
on the day of exposure and once daily thereafter for 7
days. Gross necropsies were performed at the end of the
observation period. The statistics used to analyze the
data were not reported.

Results:

Value: LD50 > 2332 mg/kg


Number of deaths
at each dose level: There were no deaths

Remarks: Animals in the high dose group appeared slightly


depressed the day after administration of the test
material. For several hours following exposure, the
animals in the high dose group also showed slight nasal
discharge. Otherwise, all animals appeared normal
throughout the study. Animals in all groups exhibited
normal weight gain. Gross necropsy did not reveal any
abnormalities other than slightly congested adrenal
glands in animals from the three higher dose levels
(233, 738, and 2332 mg/kg). Under the conditions of
this study, Alkenes, C8-10, C9 rich have a low order of
toxicity.

Reliability: (1) Reliable without restrictions, comparable to a


guideline study

UNEP PUBLICATIONS 337


OECD SIDS NONENE
5. TOXICITY ID: 27215-95-8
DATE: 28.04.2005
Flag: Key study for SIDS endpoint.

References: Hazleton Laboratories for Esso Research and Engineering


Co. (1957) Acute Oral Administration (unpublished
report).

B. ACUTE INHALATION TOXICITY

Test Substance

Identity (purity): CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich

Method

Method/guideline: NA
Type (test type): Inhalation LC50
GLP: Pre-GLP
Year: 1977
Species/Strain: CD-1 Mice, Sprague-Dawley Rats, and Hartley Guinea Pigs
Sex: Males and females
No. of animals
per sex: 5/species

Vehicle: None
Route of
administration: Inhalation (vapor )

Test Conditions:
For the purpose of this study, the test material was
considered to be free of impurities. Age of the test
animals was not reported. Body weights ranged from 24
to 32 g (mice), 228 to 321 g (rats), and 345 to 395 g
(guinea pigs) at initiation of the study. Animals were
given a single dose of test substance vapor at a
concentration of 11.1 mg/L (2150 ppm) for 6 hours. An
airstream was bubbled through the test material at a
rate of 33.1 L/min and passed through a 760 L test
chamber containing the test animals for a total of 6
hours. Control animals (5/sex/species) were exposed to
clean air at the same flow rate as the treated group.
Animals were observed throughout the exposure period for
signs of toxicity. Following the exposure period,
animals were observed for signs of toxicity daily for 14
days. Body weights were recorded on Days 0, 1, 2, 4, 7,
and 14. Gross necropsies were performed on any animals
that died during the study and all animals at the
completion of the study. The statistics used to analyze
the data were not reported.

Results:

Value: LC50 > 11.1 mg/L (2150 ppm) for 6 h for rats, mice and
guinea pigs
Number of deaths
at each dose level: None of the animals died during the exposure
period or during the 14-day post-exposure
observation period.

338 UNEP PUBLICATIONS


OECD SIDS NONENE
5. TOXICITY ID: 27215-95-8
DATE: 28.04.2005

Remarks: A total of 132.1 g of test material was delivered to the


chamber during the course of the exposure. The overall
nominal concentration of the test substance was 11.1
mg/L. During the last 4 hours of exposure, mice
exhibited labored breathing patterns, rats exhibited
limb ataxia and generally lethargic behavior, and the
guinea pigs showed slight tremors. No similar signs
were noted in the control animals, indicating that these
effects were due to exposure to the test substance.
However, all of the symptoms subsided as the test
chamber was cleared with clean air. On day 4 of the
post-exposure observation period, one of the exposed
mice had tremors, but the symptoms only occurred on that
day and were not believed to be due to exposure to the
test substance. Signs of toxicity observed during the
14-day post-exposure period included dry rales, soft
stool, and nasal discharge in rats, however, these signs
were observed in both the exposed and control animals
and are not believed to be due to the test substance.
In both exposed animals and controls, there was a slight
decrease in body weight during the first few days
following exposure, after which the animals recovered
their normal body weight. There were no significant
differences observed between the exposed animals and the
test animals at necropsy. Although there was a high
incidence of kidney lesions in both groups of guinea
pigs, the rate was slightly higher in the exposed
animals than in the controls. However, the difference
was not statistically significant.

Under conditions of this study, Alkenes, C8-10, C9 rich


have a low order of acute inhalation toxicity in rats.

Reliability: (1) Reliable without restrictions; comparable to a


guideline study.

Flag: Key study for SIDS endpoint

References: Bio/dynamics, Inc. (1977) An Acute Inhalation Toxicity Study


of MRD-76-57 in the Mouse, Rat, and Guinea Pig.
Conducted for Exxon Research and Engineering Company
(unpublished report).

C. Acute dermal toxicity

Test Substance

Identity (purity): CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich

Method

Method/guideline: NA
Type (test type): LD50
GLP: Pre-GLP
Year: 1957
Species/Strain: Albino rabbits
Sex: Males
No. of animals
per sex per dose: 4

UNEP PUBLICATIONS 339


OECD SIDS NONENE
5. TOXICITY ID: 27215-95-8
DATE: 28.04.2005

Vehicle: NA
Route of
administration: Dermal

Test Conditions: For the purpose of this study, the test material was
considered to be free of impurities. Age of the test
animals was not reported. Body weights ranged from 1.4
to 2.2 kg at initiation of the study. Animals received
single 24-hr exposures to test substance at
concentration levels of 73.8, 233, 738, and 2332 mg/kg.
There was no control group. Undiluted test material was
applied to clipped, intact abdominal skin under rubber
dental damming. The trunks of the animals were wrapped
securely with adhesive binder to prevent ingestion of
the test substance. Following the 24-hour exposure
period, the binder was removed and the exposed area was
sponged with warm water to remove residue. Animals were
observed for gross signs of irritation and systemic
toxicity daily for 7 days. Following the post-exposure
observation period, animals were weighed, sacrificed and
necropsied. Throughout the study, food and water were
available at all times and animals were housed
individually. The statistics used to analyze the data
were not reported.

Results:

Value: LD50 > 2332 mg/kg


Number of deaths
at each dose level: No mortalities were observed at any dose tested.

Remarks: The abdomens and binders were dry at the end of the
exposure period, indicating a good rate of dermal
absorption of the applied material. The test material
produced mild dermal irritation characterized by mild
erythema. Most of the animals showed slight atonia for
several days of the observation period and desquamation
during the final two days of the observation period.
Throughout the study, all animals exhibited normal
appearance and behavior. Body weight gain was normal
throughout the study. There were no significant
findings at necropsy. Alkenes, C8-10, C9 rich have a low
order of acute dermal toxicity.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Hazleton Laboratories for Esso Research and Engineering


Co. (1957) Acute Dermal Application (unpublished
report).

D. Acute toxicity, other routes

No data available

5.3 Corrosiveness/Irritation

340 UNEP PUBLICATIONS


OECD SIDS NONENE
5. TOXICITY ID: 27215-95-8
DATE: 28.04.2005
A. Skin Irritation/Corrosion

Test Substance

Identity (purity): CAS No. 68526-55-6; Alkenes, C8-10, C9 rich

Method

Method/guideline: NA
Type (test type): Dermal irritation
GLP: Pre-GLP
Year: 1957
Species/Strain: Albino rabbits
Sex: Males
No. of animals
per sex per dose: 4

Vehicle: NA
Route of
administration: Dermal

Test Conditions: Animals received single 24-hr exposures to test


substance at concentration levels of 73.8, 233, 738, and
2332 mg/kg. There was no control group. Undiluted test
material was applied to clipped, intact abdominal skin
under rubber dental damming. The trunks of the animals
were wrapped securely with adhesive binder to prevent
ingestion of the test substance. Following the 24-hour
exposure period, the binder was removed and the exposed
area was sponged with warm water to remove residue.
Animals were observed for gross signs of irritation and
systemic toxicity daily for 7 days. Following the post-
exposure observation period, animals were weighed,
sacrificed and necropsied. Throughout the study, food
and water were available at all times and animals were
housed individually.

Age of the test animals was not reported. Body weights


ranged from 1.4 to 2.2 kg at initiation of the study.
The statistics used to analyze the data were not
reported

Results:

Number of deaths
at each dose level: No mortalities were observed at any dose tested.

Remarks: The abdomens and binders were dry at the end of the
exposure period, indicating a good rate of dermal
absorption of the applied material. The test material
produced mild dermal irritation characterized by mild
erythema. Most of the animals showed slight atonia for
several days of the observation period and desquamation
during the final two days of the observation period.
Throughout the study, all animals exhibited normal
appearance and behavior. Body weight gain was normal
throughout the study. There were no significant
findings at necropsy.

Reliability: (1) Reliable without restrictions

UNEP PUBLICATIONS 341


OECD SIDS NONENE
5. TOXICITY ID: 27215-95-8
DATE: 28.04.2005
References: Hazleton Laboratories for Esso Research and Engineering
Co. (1957) Acute Dermal Application (unpublished
report).

B. Eye Irritation/Corrosion

Test Substance

Identity (purity): CAS No. 68526-55-6; Alkenes, C8-10, C9 rich

Method

Method/guideline: Not specified


Type (test type): Ocular irritation
GLP: Pre-GLP
Year: 1962
Species/Strain: Albino rabbits
Sex: Males and females
No. of animals
per dose: 6

Vehicle: None
Route of
administration: Ocular

Test Conditions: The test material was administered as a single


instillation of 0.1 ml into the lower conjunctival sac
of the left eye of each animal. The upper and lower
lids were gently held together briefly to insure
adequate distribution of the test material. The
contralateral eye in each rabbit served as the control.
Throughout the study, food and water were available at
all times and animals were housed individually. The age
and weight of the test animals was not reported.
Statistics used to evaluate the data were not reported.

The general health of each rabbit was examined for


irritation of the cornea, iris and conjunctiva at 1 and
4 hours and on days 1, 2, 3, 4 and 7. Ocular reactions
were graded according to the Draize Standard Eye
Irritation Grading Scale.

Results: Maximum total Draize score = 6

Remarks: There were no animal deaths prior to study termination.


The test material produced mild conjunctival irritation
which completely cleared within 24 hours.

Reliability: (1) Reliable without restrictions

References: Hazleton Laboratories for Esso Research and Engineering


Co. (1962) Acute Eye Application - Rabbits (unpublished
report).

5.4 Skin Sensitisation

No data available

342 UNEP PUBLICATIONS


OECD SIDS NONENE
5. TOXICITY ID: 27215-95-8
DATE: 28.04.2005
5.5 Repeated Dose Toxicity

No data available

5.6 Genetic Toxicity in vitro

A. Gene Mutation

Test Substance

Identity (purity): CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich

Method

Method/guideline: EPA OTS 798.5265


Type: in-vitro bacterial reverse mutation – Ames Assay
System of testing: bacterial
GLP: Yes
Year: 1991
Species/Strain: Salmonella typhimurium TA98, TA100, TA1535, TA1537,
TA1538
Metabolic activation: With and without S9 fraction of livers from rats
pretreated with Aroclor 1254

Concentrations tested: 10, 32, 100, 320 and 1000 µg/plate (Doses were
based on a pre-test for toxicity)

Statistical Methods: The mean plate count and standard deviation for
each dose point were determined. Any test value that
was equal to or greater than three times the mean value
of the concurrent vehicle control was considered to be a
positive dose.

Test Conditions: For the purpose of this study, the test material was
considered to be free of impurities. DMSO was the
vehicle for controls. Ethanol was the vehicle for the
test material. Vehicle controls were dosed at 0.1
ml/plate ethanol and 0.1 ml/plate DMSO. The positive
controls were 2-Aminoanthracene, 9-Aminoacridine, 2-
Nitrofluorene, N-methyl-N-nitro-N-nitrosoguanidine.
Three plates were prepared for each dose level.

To determine the highest dose of compound to be used in


the assay, a dose range from 1 to 10,000 µg/plate was
tested. Only strain TA98 was used. The toxicity
pretest was repeated and toxicity was observed as a
reduction in both background and revertant colony
counts. 1000 µg/plate was selected as the high dose to
be used on the mutagenesis assay for both the saline
(-S9) and the +S9 treated plates.

A repeat assay was performed in order to verify the data


produced in the initial assay.

Results

Cytotoxic conc.: 1000 µ g/plate


Genotoxic effects: Negative with and without metabolic activation

UNEP PUBLICATIONS 343


OECD SIDS NONENE
5. TOXICITY ID: 27215-95-8
DATE: 28.04.2005
Remarks: The test material did not produce any evidence of
mutagenicity. In the initial and repeat assays,
neither a positive response nor a dose related increase
in revertants was observed for any of the tester strains
either in the presence or absence of metabolic
activation. All positive and negative controls responded
in a manner consistent with data from previous assays.
Under conditions of this assay, the test material was
not mutagenic for the Salmonella tester strains at doses
up to and including 1000 µg/plate.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint.

References: EBSI (1991) Microbial Mutagenesis in Salmonella:


Mammalian Microsome Plate Incorporation Assay
(unpublished report).

B. Chromosomal Aberration

No data available

5.7 Genetic Toxicity in vivo

Test Substance

Identity (purity): CAS No. 68526-55-6; Alkenes, C8-10, C9 Rich

Method

Method/guideline: EPA OTS 798.5395


Type: Micronucleus Assay
GLP: Yes
Year: 1991
Species: Mouse
Strain: B6C3F1
Sex: Male and female
Route of
Administration: Oral gavage
Concentration levels: 1.25, 2.5, and 5 g/kg. Concentrations were based on the
results of a range-finding study.
Exposure period: Single dose
Statistical methods: Analysis of variance (ANOVA), Duncan's Multiple Range
Test; sexes were analyzed separately

Test Conditions: For the purpose of this study, the test material was
considered to be free of impurities. The test animals were
approximately 8 to 9 weeks of age and weighed between 21 and
29 g at the start of the study. The test material and the
carrier (corn oil) were administered by oral gavage as single
doses to 15 mice/sex/dose (not fasted). The positive control,
cyclophosphamide, was administered by intraperitoneal
injection as a single dose of 40 mg/kg in reagent grade water
at the same volume as the test material. Animals from the
appropriate groups (5 animals/sex/group) were sacrificed by
carbon dioxide asphyxiation at appropriately 24, 48 and 72
hours after dose administration. Animals dosed with
cyclophosphamide were sacrificed at 24 hours only.

344 UNEP PUBLICATIONS


OECD SIDS NONENE
5. TOXICITY ID: 27215-95-8
DATE: 28.04.2005
Immediately upon sacrifice, the bone marrow was removed from
both femurs of each animal, resuspended in fetal bovine serum,
and prepared for microscopy. Samples were blindly coded and
stained with acridine orange. 1000 polychromatic erythrocytes
(PCE) from each animal were examined for micronuclei, and the
ratio of PCE's to NCE's (normochromatic erythrocytes) was
determined for each animal by counting 1000 erythrocytes
(PCE's and NCE's)

Results

Effect on
PCE/NCE ratio: The test material induced a significant decrease in
polychromatic erythrocytes in both males and females at 48 and
72 hours when treated with the high dose (5.0 g/kg). In
addition, the mean percent of PCE's for the 5.0 g/kg dose
group for both sexes at 48 and 72 hours were statistically
different from the carrier controls. The mean percent of
PCE's for the female 2.5 g/kg dose group at 48 hours was also
statistically different from the carrier control.

Genotoxic effects: Negative.

NOEL: 5.0 g/kg

Remarks: There was no statistically significant increase in the mean


number of micronucleated polychromatic erythrocytes. Thus,
the test material was not clastogenic. The positive control
induced a statistically significant increase in the mean
number of micronucleated polychromatic erythrocytes, which
indicates that the positive control responded appropriately
and is clastogenic. These observations indicate that the
test material was toxic to mouse bone marrow at higher
concentrations, but did not induce micronuclei formation.
Under conditions of this assay, the test material is not
considered clastogenic in mice up to and including 5.0 g/kg
when evaluated up to 72 hours after dose administration.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Exxon Biomedical Sciences, Inc. (1991) In vivo Mammalian Bone


Marrow Micronucleus Assay: Oral Gavage Method (unpublished
report).

5.8 Carcinogenicity

No data available

5.9 Reproductive Toxicity (including Fertility and Developmental Toxicity).

A. Fertility

No data available

UNEP PUBLICATIONS 345


OECD SIDS NONENE
5. TOXICITY ID: 27215-95-8
DATE: 28.04.2005
B. Developmental Toxicity

No data available

5.10 Other Relevant Information

Aspiration

Test Substance

Identity: C6-C18 even numbered alpha olefins

Method

Type: General toxicity – aspiration


Species: Rat
Strain: Wistar
Sex: Male
Route of
Administration: aspiration
Dose: 0.2 mL

Results: See Remarks

Remarks: C6-C18 alkenes (even carbon numbers, alpha olefins), source


and purity unspecified, were assessed for aspiration hazard in
an animal study using Wistar rats. Four or five males were
used per test article. Two-tenths mL of the test material was
placed in the mouths of rats that had been anesthetized to the
point of apnea in a covered wide mouth gallon jar containing
about 1 inch of wood shavings moistened with approximately 1
ounce of anhydrous diethyl ether. As the animals began to
breathe again, the nostrils were held until the test material
had been aspirated or the animal regained consciousness. All
alkenes tested except 1- hexene were aspirated into the lungs.
1-Hexene was difficult to dose because of its volatility. Two
animals survived because the hydrocarbon “boiled” out of the
mouth before it was aspirated. All animals exposed to C8 to C14
died within 24 hours. With C16 and C18, there was only one
death (C18). Lung weights were increased in alkenes-treated
animals compared with controls. The affected animals showed
chemical pneumonitis. The report concluded that there is a
significant aspiration hazard with C6 to C14 alkenes.

Reference: Gerarde, H.W. (1963) Toxicological Studies on Hydrocarbons.


Archives of Environmental Health 6:329-341.

Other: This study was included in the dossier for 1-decene at SIAM
11.

5.11 Experience with Human Exposure

No data available

346 UNEP PUBLICATIONS


OECD SIDS NONENE
6. REFERENCES ID: 27215-95-8
DATE: 28.04.2005
Adema, D.M.M. and Bakker, G.H. (1985) Aquatic toxicity of compounds that may be
carried by ships [MARPOL 1973; Annex II]. TNO report R 85/217, The Hague
(unpublished report).

American Chemistry Council’s Higher Olefins Panel (2002) Personal communication.

Bio/dynamics, Inc. (1977) An Acute Inhalation Toxicity Study of MRD-76-57 in


the Mouse, Rat, and Guinea Pig. Conducted for Exxon Research and Engineering
Company (unpublished report).

Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J. Beaumann and N. Tirado


(1994) Group contribution method for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.

Daubert TE and Danner RP (1989) as citeded in EPIWIN (2000). Estimation Program


Interface for Windows, version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics, U.S.A.

EBSI (1991) Microbial Mutagenesis in Salmonella: Mammalian Microsome Plate


Incorporation Assay (unpublished report).

Enichem S.p.A Milan , manufacturer’s data (cited in IUCLID)

EPIWIN (2000). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

Exxon Biomedical Sciences, Inc. (1991) In vivo Mammalian Bone Marrow


Micronucleus Assay: Oral Gavage Method (unpublished report).

Exxon Biomedical Sciences, Inc. (1996) Fish, Acute Toxicity Test. Study
#119158. Exxon Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished
report).

Exxon Biomedical Sciences, Inc. (1996) Fish, Acute Toxicity Test. Study
#119258. Exxon Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished
report).

Exxon Biomedical Sciences, Inc. (1997) Ready Biodegradability: OECD 301F


Manometric Respirometry. Study #119294A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).

ExxonMobil (2004) Nonene Datasheet (unpublished data)

Gerarde, H.W. (1963) Toxicological Studies on Hydrocarbons. Archives of


Environmental Health 6:329-341.

Gould, E.S. (1959) Mechanism and Structure in Organic Chemistry, Holt, Reinhart
and Winston, New York, NY, USA.
Hansch C et al. (1995) as cited in EPIWIN (2000). Estimation Program Interface
for Windows, version 3.11. EPI Suite™ software, U.S. Environmental Protection
Agency, Office of Pollution Prevention and Toxics, U.S.A.

Harris J C (1982a). Rate of Aqueous Photolysis. Chapter 8 in: W. J. Lyman, W. F.


Reehl, and D. H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, USA

Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in: W.J. Lyman, W.F.
Reehl, and D.H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, NY, USA.

Hazleton Laboratories for Esso Research and Engineering Co. (1957) Acute Oral
Administration (unpublished report).

UNEP PUBLICATIONS 347


OECD SIDS NONENE
6. REFERENCES ID: 27215-95-8
DATE: 28.04.2005
Hazleton Laboratories for Esso Research and Engineering Co. (1957) Acute Dermal
Application (unpublished report).

Hazleton Laboratories for Esso Research and Engineering Co. (1962) Acute Eye
Application - Rabbits (unpublished report).

Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M. Meylan, A.E. Hueber, J.A.
Beauman and M.E. Larosche (1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem.
11:593-603.

Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using


Multivariate Statistical Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E. Poling, Eds.

Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry and Physics. 79th ed. Boca
Raton, FL: CRC Press Inc., p. 3-225.

Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds. (1990) Handbook of Chemical
Property Estimation. Chapter 14. Washington, D.C.: American Chemical Society.

Meylan, W. and P. Howard (1995) Atom/fragment contribution method for estimating


octanol-water partition coefficients. J. Pharm. Sci. 84:83-92.

Meylan, W., P. Howard and R. Boethling (1996) Improved method for estimating
water solubility from octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.

Meylan, W.M. and Howard, P.H. (1993) Computer estimation of the atmospheric
gas-phase reaction rate of organic compounds with hydroxyl radicals and ozone.
Chemosphere 26: 2293-99

Meylan, W., P.H. Howard and R.S. Boethling (1992) Molecular topology/fragment
contribution method for predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7

Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved method for estimating


bioconcentration / bioaccumulation factor from octanol/water partition
coefficient. Environ. Toxicol. Chem. 18(4): 664-672.

Neely and Blau (1985) Environmental Exposure from Chemicals, Volume 1, p. 31,
CRC Press.

Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G. E. Blau, eds.


Environmental Exposure from Chemicals. Vol I., pp. 157-173. CRC Press, Boca
Raton, FL, USA.

NLM (2003). TRI (Toxic Release Inventory). U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September 2003 (http://toxnet.nlm.nih.gov).

Ortiz de Montellano, P.R., and Mico, G.A. (1980) Destruction of cytochrome P-450
by ethylene and other olefins. Mol. Pharmacol. 18(1)128-135.

SRI (2001). Chemical Economics Handbook. SRI International. Menlo Park, CA.
August, 2001.

Stein, S. and R. Brown (1994) Estimation of normal boiling points from group
contributions (1994) J. Chem. Inf. Comput. Sci. 34: 581-587.

Trent University (2004). Level I Fugacity-based Environmental Equilibrium


Partitioning Model (Version 3.00) and Level III Fugacity-based Multimedia
Environmental Model (Version 2.80.1. Environmental Modeling Centre, Trent
University, Peterborough, Ontario. (Available at http://www.trentu.ca/cemc)

348 UNEP PUBLICATIONS


OECD SIDS NONENE
6. REFERENCES ID: 27215-95-8
DATE: 28.04.2005
Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and H. Loonen (2000)
Predicting ready biodegradability in the MITI Test. Environ. Toxicol. Chem.
(accepted for publication)

U.S. Coast Guard Department of Transportation. CHRIS – Chemical Hazards


Response Information System Washington, DC, information last updated 2002,
website: http://www.chrismanual.com/default.htm.

Weber, R.C. et al. (1981) Vapor Pressure Distribution of Selected Organic


Chemicals. USEPA –600/2-81-021, Cincinnati, OH: USEPA pp.39; EPIWIN (2000).
Estimation Program Interface for Windows, version 3.11. EPI Suite™ software,
U.S. Environmental Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

Zahlsen, K., I. Eide, A.M. Nilsen and O.G. Nilsen (1993) Inhalation kinetics of
C8-C10 1-alkenes and iso-alkanes in the rat after repeated exposures.
Pharmacology & Toxicology 73:163-168

Zepp, R. G. and D. M. Cline (1977). Rates of Direct Photolysis in the Aqueous


Environment, Environ. Sci. Technol., 11:359-366.

UNEP PUBLICATIONS 349


OECD SIDS DECENE

SIDS DOSSIER
ON THE HPV CHEMICAL

DECENE

CAS No.: 25339-53-1


Contains Robust Summaries for the Following Substances:

CAS No. 25339-53-1, Decene


CAS No. 872-05-9, 1-Decene
CAS No. 68526-56-7; Alkenes, C9-11, C10-Rich
CAS No. 85535-87-1, Alkenes C10-13
C10-13 Internal olefins (SHOP Olefins 103PQ11/Olefins 103 PQ11/SHOP Olefins 103)

Sponsor Country: USA

Date of submission to OECD: April 28, 2005

350 UNEP PUBLICATIONS


OECD SIDS DECENE
1. GENERAL INFORMATION ID: 25339-53-1
DATE: 28.04.2005
Substance Information

A. CAS Number: 25339-53-1

B. Name (OECD): Decene

C. Name (IUPAC): Decene

D. CAS Descriptor: Decene

E. EINECS Number: 246-870-7

F. Molecular Formula: C10 H20

G. Structural Formula: CH3-CH=CH-(CH2)4-CH3

Sponsor Country: United States of America

Lead Organisation:

Name of Lead Organisation: United States of America Environmental


Protection Agency
Contact person: Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
Address:
• Street: 1200 Pennsylvania Avenue, NW
• Postal code: 20460
• Town: Washington, D.C. 20460
• Country: United States of America
• Tel: (202) 564-7461

Name of Responder (Industry Consortium):

Name: American Chemistry Council (Higher Olefins Panel)


Contact: Mr. W. D. Anderson, Higher Olefins Panel Manager
Address:
• Street: 1300 Wilson Boulevard
• Postal code: 22209
• Town: Arlington, VA
• Country: United States of America
• Tel: (703)741-5616
• Fax: (703) 741-6091

Details on Chemical Category

This profile includes an evaluation of SIDS-level testing data, using a category


approach, with six individual internal olefins (C6 – C10 and C12), a C10 – 13
internal olefins blend and two linear alpha olefins (1-hexadecene and 1-
octadecene), all of which are monoolefins. The internal olefins are
predominantly linear, but may contain small amounts of branched materials. For
the purposes of the ICCA HPV Program, the category was defined as “Higher
Olefins.” The category designation was based on the belief that, within the C6
to C18 boundaries identified, internalizing the location of the carbon-carbon
double bond, increasing the length of the carbon chain, and/or changing the

UNEP PUBLICATIONS 351


OECD SIDS DECENE
1. GENERAL INFORMATION ID: 25339-53-1
DATE: 28.04.2005
carbon skeleton’s structure from linear to branched does not change the toxicity
profile, or changes the profile in a consistent pattern from lower to higher
carbon numbers. This expectation is supported by a large amount of existing data
for alpha and internal olefins with carbon numbers ranging from C6 to C24. The
members of the category are:

Hexene CAS # 25264-93-1


Heptene CAS # 25339-56-4
Octene CAS # 25377-83-7
Nonene CAS # 27215-95-8
Decene CAS # 25339-53-1
Dodecene CAS # 25378-22-7
Alkenes, C10-C13 CAS# 85535-87-1
1-Hexadecene CAS # 629-73-2
1-Octadecene CAS # 112-88-9

1.1 General Substance Information

A. Type of Substance

Element [ ]; Inorganic [ ]; Natural substance [ ]; Organic [X ];


Organometallic [ ];
Petroleum product [ ]

B. Physical State (at 20°C and 1.013 hPa)

Gaseous [ ]; Liquid [X ]; Solid [ ]

C. Purity: >94%

1.2 Impurities

Chemical Name: ≤5% C9 and lower internal olefins

Chemical Name: ≤3% C11and higher internal olefins

1.3 Additives

None

1.4 Synonyms

Some synonyms are: n-Decene; decene isomers, decylene, decenes

1.5 Quantity

Remarks: 5,000,000-10,000,000 tonnes; 1999 figures for UK

Reference: Shell Chemicals UK Ltd, Chester

Remarks: U.S. production volume for decene was 10 – 50 million pounds


reported for 2002 by members of the American Chemistry Council’s
Higher Olefins Panel.

352 UNEP PUBLICATIONS


OECD SIDS DECENE
1. GENERAL INFORMATION ID: 25339-53-1
DATE: 28.04.2005
Reference: American Chemistry Council’s Higher Olefins Panel (2002)

1.6 Use Pattern

A. General Use Pattern

Type of Use: Category:

(a) Main Use in closed systems


Industrial Chemical industry
Use Intermediate

Remarks: Intermediate in the manufacture of plasticizer and


detergent alcohols, surfactants, nonionics,
polyalphaolefins and other additives for
lubricants, amine oxides and amines

(b) Main Non-dispersive use


Industrial Chemical industry – chemicals used in synthesis
Use Intermediate

Remarks: Intermediate in the manufacture of plasticizer and


detergent alcohols, surfactants, nonionics,
polyalphaolefins and other additives for
lubricants, amine oxides and amines

B. Uses In Consumer Products

Chemical not present in consumer products as marketed.

1.7 Sources of Exposure

Remarks: This product is produced commercially in closed systems and is used


primarily as an intermediate in the production of other chemicals.
No non-intermediate applications have been identified. Any
occupational exposures that do occur are most likely by the
inhalation and dermal routes. It is a common practice to use
personal protective equipment. In the case of dermal exposures,
protective gloves would be worn due to the mildly irritating
properties of this class of chemicals (ACC Higher Olefins Panel).
Results from modelled data suggest that on-site waste treatment
processes are expected to remove this substance from aqueous waste
streams to the extent that it will not be readily detectable in
effluent discharge (EPIWIN, 2000b). This substance is not on the US
Toxic Release Inventory (TRI) list (NLM, 2003). This olefin will not
persist in the environment because it can be rapidly degraded
through biotic and abiotic processes.

Reference: American Chemistry Council’s Higher Olefins Panel (2002)

1.8 Additional Information

A. Classification and Labelling

Classification

UNEP PUBLICATIONS 353


OECD SIDS DECENE
1. GENERAL INFORMATION ID: 25339-53-1
DATE: 28.04.2005

Type: as in Directive 67/548/EEC


Category of danger: Flammable, Harmful, Irritant, Dangerous to the
environment
R-phrases: (R10) Flammable
(R38) Irritating to skin
(R51/53) Toxic to aquatic organisms, may cause
long-term adverse effects in the aquatic
environment
(65) Harmful: may cause lung damage if swallowed

Labelling

Type: as in Directive 67/548/EEC


Specific limits: no
Symbols: Xn, N
R-phrases: (R10) Flammable
(R38) Irritating to skin
(R51/53) Toxic to aquatic organisms, may cause long-
term adverse effects in the aquatic environment
(R65) Harmful: may cause lung damage if swallowed

S-phrases: (24) Avoid contact with skin


(29) Do not empty into drains
(33) Take precautionary measures against static
discharges
(S61) Avoid release to the environment. Refer to
special instructions/Safety data sheets
(S62) If swallowed, do not induce vomiting: seek medical
advice immediately and show this container or label

B. Occupational Exposure Limits

Exposure Limit Value

Type: None established


Value:

Short Term Exposure Limit Value

Value: None established

C. OPTIONS FOR DISPOSAL

Remarks: Biotreater, burned for fuel

D. Last Literature Search

Type of search: Internal and external


Date of search: October 2003
Remark: Medline
IUCLID
TSCATS
ChemIDplus
AQUIRE - ECOTOX

354 UNEP PUBLICATIONS


OECD SIDS DECENE
1. GENERAL INFORMATION ID: 25339-53-1
DATE: 28.04.2005
E. OTHER REMARKS

ADR
Class: 3
Packing Group: 3
Hazard identification no. 30
UN Number: 3295
Danger label
(Primary risk) 3
Proper Shipping Name: Hydrocarbons, Liquid, N.O.S. (DECENE)

UNEP PUBLICATIONS 355


OECD SIDS DECENE
2. PHYSICO-CHEMICAL DATA ID: 25339-53-1
DATE: 28.04.2005
2.1 Melting Point

A. Test Substance

Identity: CAS No. 872-05-9, 1-Decene

Method No data
GLP: No data
Year: No data

Results:
Melting point
Value: -66.3 °C

Decomposition: No data
Sublimation: No data

Reliability: (2) Reliable with restrictions. The result is


experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.

Flag: Key study for SIDS endpoint


References: EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method: ASTM D97


GLP: Yes [ ] No[X ]
Year: 1978
Remarks: value is for pour point

Results:
Melting point
Value: -66 °C:

Decomposition:Yes [ ] (temperature °C) No [X ] Ambiguous [ ]


Sublimation: Yes [ ] No [X ] Ambiguous [ ]

Reliability: (4) Not assignable. These data were not reviewed for
quality.

References: Enichem Augusta Ind. Technical Bulletin

Remarks: IUCLID cites Shell Chemicals UK Ltd, Chester

C. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of the computer program EPIWIN version
3.10
GLP: Not applicable

356 UNEP PUBLICATIONS


OECD SIDS DECENE
2. PHYSICO-CHEMICAL DATA ID: 25339-53-1
DATE: 28.04.2005
Year: Not applicable

Test Conditions: Melting Point is calculated by the MPBPWIN subroutine,


which is based on the average results of the methods of
K. Joback, and Gold and Ogle, and chemical structure.
Joback's Method is described in Joback, (1982). The Gold
and Ogle Method simply uses the formula Tm = 0.5839Tb,
where Tm is the melting point in Kelvin and Tb is the
boiling point in Kelvin. Program used the structure for
1-decene.

Results

Melting point
value in °C: -45.48°C

Reliability: (2) Reliable with restrictions. The result is


calculated data based on chemical structure as modeled
by EPIWIN.

Flag: Key study for SIDS endpoint

References: Joback, K.G. 1982. A Unified Approach to Physical


Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.

EPIWIN (2000a). Estimation Program Interface for


Windows, version 3.10. Syracuse Research Corporation,
Syracuse, NY. USA.

2.2 Boiling Point

A. Test Substance

Identity: CAS No. 25339-53-1, Decene


Method

Method: No data
GLP: No data
Year: No data

Results

Boiling point value: 170°C


Pressure: 1013
Pressure unit: hPa

Decomposition: No data

Reliability: (2) Reliable with restrictions. The result is


experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.

Flag: Key study for SIDS endpoint.

References: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.

UNEP PUBLICATIONS 357


OECD SIDS DECENE
2. PHYSICO-CHEMICAL DATA ID: 25339-53-1
DATE: 28.04.2005
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
GLP: Not applicable
Year: Not applicable

Test Conditions: Boiling Point is calculated by the MPBPWIN subroutine,


which is based on the method of Stein and Brown (1994).
Program used the structure for 1-decene.
Results

Boiling point
value in °C: 162.99°C
Pressure: 1013
Pressure unit: hPa

Reliability: (2) Reliable with restrictions. The result is


calculated data based on chemical structure as modeled
by EPIWIN.

References: Stein, S. and R. Brown (1994) Estimation of normal


boiling points from group contributions (1994) J. Chem.
Inf. Comput. Sci. 34: 581-587.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

2.3 Density (Relative Density)

A. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method: ISO 3675


GLP: Yes [ ] No [X ] ? [ ]

Results

Type:
Value: 740 kg/m3
Temperature: (20°C)

Reliability: (2) Reliable with restrictions: Reliable source but


data were not reviewed for quality.

Reference: Shell Chemicals UK Ltd, Chester as cited in IUCLID

358 UNEP PUBLICATIONS


OECD SIDS DECENE
2. PHYSICO-CHEMICAL DATA ID: 25339-53-1
DATE: 28.04.2005

B. Test Substance

Identity: 4-Decene, 5-Decene or CAS No. 872-05-9, 1-Decene

Method

Method: No data
GLP: No data

Results

Type:
Value: 0.74 g/cm3
Temperature: (20°C)

Reliability: (2) Reliable with restrictions: Reliable secondary


source but data were not reviewed for quality.

Reference: Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry


and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., p.
3-181.

2.4 Vapour Pressure

A. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method
Method: No data
GLP: Yes [X ] No[ ]

Results

Vapour Pressure value: 1.33 hPa


Temperature: 14.7O C
Decomposition: Yes [ ] No [x ] Ambiguous [ ]

Reliability: (2) Reliable with restrictions: These data were


not reviewed for quality.

References: Verschueren, K. (1983) Handbook of environmental data on


organic chemicals, 2nd ed. Van Nostrand Reingold, NY. P
448.

Remarks: IUCLID cites Shell Chemicals UK Ltd, Chester

B. Test Substance

Identity: CAS No. 872-05-9, 1-Decene

Method

Method/
guideline followed: No data
GLP: No data
Year: No data

UNEP PUBLICATIONS 359


OECD SIDS DECENE
2. PHYSICO-CHEMICAL DATA ID: 25339-53-1
DATE: 28.04.2005

Test Conditions: No data

Results

Vapor Pressure
Value: 2.23 hPa
Temperature: 25°C
Remarks: Reported as 1.67 mm Hg (25°C)

Reliability: (2) Reliable with restrictions. The result is measured


data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

References: Daubert, T.E. and R.P. Danner (1989) Physical and


Thermodynamic Properties of Pure Chemicals: Data
Compilation; Design Institute for Physical Property
Data, American Institute of Chemical Engineers.
Hemisphere Pub. Corp., New York, NY

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

C. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
v. 3.10, MPBPWIN v 1.40
GLP: Not applicable
Year: Not applicable

Test Conditions: Vapor Pressure is calculated by the MPBPWIN subroutine,


which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985. The calculation
used an experimental value for BP of 170 °C from EPIWIN
database.

Results

Vapor Pressure
value: 2.79 hPa
Temperature (°C ): 25°C
Remarks: Reported as 2.09 mm Hg

Reliability: (2) Reliable with restrictions. The result is


calculated data as modeled by EPIWIN using measured data
as cited in the EPIWIN database. These data were not
reviewed for quality.

360 UNEP PUBLICATIONS


OECD SIDS DECENE
2. PHYSICO-CHEMICAL DATA ID: 25339-53-1
DATE: 28.04.2005
Flag: Key study for SIDS endpoint

References: Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.


(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.

Neely and Blau (1985) Environmental Exposure from


Chemicals, Volume 1, p. 31, CRC Press.

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

2.5 Partition Coefficient (log10Kow)

A. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

GLP: No data
Year: 1979

Results

Log Kow: 5.4


Temperature: 20 OC
Remarks: Material is not miscible with water

Reliability: (4) Not assignable. These data were not reviewed


for quality.

References: Hansch C. and A. Leo (1979) Substituent constants for


correlation analysis in chemistry and biology, Wiley,
New York.

Remarks: IUCLID cites Shell Chemicals UK Ltd, Chester

B. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method: Calculated value using the computer program EPIWIN


version 3.10, KOWWIN v 1.66
GLP: Not applicable
Year: Not applicable

Test Conditions: Octanol / Water Partition Coefficient is calculated by


the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). Program used the structure for 1-decene.
Results

Log Kow: 5.12

UNEP PUBLICATIONS 361


OECD SIDS DECENE
2. PHYSICO-CHEMICAL DATA ID: 25339-53-1
DATE: 28.04.2005
Temperature (°C ): Not applicable

Reliability: (2) Reliable with restrictions. The result was


calculated based on chemical structure as modeled by
EIPWIN.

Flag: Key study for SIDS endpoint

Reference: Meylan, W. and P. Howard (1995) Atom/fragment


contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.

EPIWIN (2000a). Estimation Program Interface for


Windows, version 3.10. Syracuse Research Corporation,
Syracuse, NY. USA.

C. Test Substance

Identity: CAS No. 872-05-9, 1-Decene

Method

GLP: No data
Year: No data

Results

Log Kow: 5.7


Temperature:

Reliability: (2) Reliable with restrictions. The result is


experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.

Flag: Key study for SIDS endpoint

References: American Petroleum Institute (1994) as cited in EPIWIN


(2000b). Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

2.6.1 Water Solubility (including *Dissociation Constant).

A. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method/
guideline followed: Calculated value using the computer program
EPIWIN, WSKOW v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Water Solubility is calculated by the WSKOW subroutine,


which is based on a Kow correlation method described by

362 UNEP PUBLICATIONS


OECD SIDS DECENE
2. PHYSICO-CHEMICAL DATA ID: 25339-53-1
DATE: 28.04.2005
Meylan et al., 1996. The calculation used an
experimental Log Kow of 5.70 (for 1-decene).

Results

Value(mg/L) at
temperature ( °C): 0.3288. mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result was


calculated.

Flag: Key study for SIDS endpoint

References: Meylan, W., P. Howard and R. Boethling (1996) Improved


method for estimating water solubility from
octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

B. Test Substance

Identity: CAS No. 872-05-9, 1-Decene

Method

Method/
guideline followed: Not reported
GLP: No data
Year:

Test Conditions: No data

Results

Value (mg/L)
at temperature (°C): 0.57 mg/L (25°C)

Reliability: (2) Reliable with restrictions. Experimental result as


cited in the EPIWIN database. These data were not
reviewed for quality.

References: Kertes, A.S. (1989) Selective transport of hydrocarbons


in the unsaturated zone due to aqueous and vapor phase
partitioning . Water Resources Research 23, 1926-38;
EPIWIN. 2000. Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.
C. Test Substance

Identity: CAS No. 872-05-9, 1-Decene

Method

Method/
guideline followed: Not reported
GLP: No

UNEP PUBLICATIONS 363


OECD SIDS DECENE
2. PHYSICO-CHEMICAL DATA ID: 25339-53-1
DATE: 28.04.2005
Year: 2004

Test Conditions: An equilibrium study was performed to measure the


solubility of 1-decene in the test medium for a Daphnia
magna Reproduction Test conducted in accord with OECD
211 Test Guideline under identical conditions used to
generate the stock exposure solution for the in-life
phase of the reproduction study. A “gas saturation”
method was employed to determine the feasibility and
duration required for the test substance to achieve an
equilibrium concentration using the following procedure:
The test substance was aerated and the vapor passed into
an aspirator bottle containing vehicle/dilution medium.
1-Decene saturated vapor passed through an air stone
near the bottom of the aspirator bottle providing
maximum contact between the test substance in the vapor
phase and vehicle/dilution medium. The method of
analysis was automated static headspace gas
chromatography with flame ionization detection (HS GC-
FID). Samples were analyzed using a Perkin-Elmer HS 40
Headspace Sampler connected to a Perkin Elmer AutoSystem
XL Gas Chromatograph with flame ionization detection.
Analytical standards were prepared and analyzed at
concentrations bracketing the sample concentrations.

Results

Value (mg/L)
at temperature (°C): 0.210 mg/L (25°C)

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint

References: ExxonMobil Biomedical Sciences, Inc. (2004). Daphnia


magna Reproduction Test with 1-DECENE. Study # 180446.
Performed at ExxonMobil Biomedical Sciences, Inc.
Annandale, NJ, for the American Chemistry Council.

2.6.2 Surface tension

No data available

2.7 Flash Point (Liquids)

Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method: ISO 2719


GLP: No data

Results

Value: 45°C

364 UNEP PUBLICATIONS


OECD SIDS DECENE
2. PHYSICO-CHEMICAL DATA ID: 25339-53-1
DATE: 28.04.2005
Type of test: Closed cup [ X]; Open cup [ ]; Other [ ]

Reliability: (4) Not assignable. These data were not reviewed for quality.

Reference:

Remark: IUCLID cites Shell Chemicals UK Ltd, Chester

2.8 Auto Flammability (Solids/Gases)

No data available

2.9 Flammability

No data available

2.10 Explosive Properties

No data available

2.11 Oxidising Properties

No data available

2.12 Oxidation-Reduction Potential

No data available

UNEP PUBLICATIONS 365


OECD SIDS DECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-53-1
DATE: 28.04.2005
3.1 Stability

A. Photodegradation

(1) Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method/
guideline followed: Other: Technical discussion

Type: water
GLP: Not applicable
Year: Not applicable

Test Conditions: Not applicable

Results

Direct photolysis: In the environment, direct photolysis will


not significantly contribute to the degradation of
constituent chemicals in the Higher Olefins
Category.

Remarks: The direct photolysis of an organic molecule


occurs when it absorbs sufficient light energy to
result in a structural transformation (Harris,
1982a). The reaction process is initiated when
light energy in a specific wavelength range
elevates a molecule to an electronically excited
state. However, the excited state is competitive
with various deactivation processes that can
result in the return of the molecule to a non
excited state.

The absorption of light in the ultra violet (UV)-


visible range, 110-750 nm, can result in the
electronic excitation of an organic molecule.
Light in this range contains energy of the same
order of magnitude as covalent bond dissociation
energies (Harris, 1982a). Higher wavelengths (e.g.
infrared) result only in vibrational and
rotational transitions, which do not tend to
produce structural changes to a molecule.

The stratospheric ozone layer prevents UV light of


less than 290 nm from reaching the earth's
surface. Therefore, only light at wavelengths
between 290 and 750 nm can result in photochemical
transformations in the environment (Harris,
1982a). Although the absorption of UV light in the
290-750 nm range is necessary, it is not always
sufficient for a chemical to undergo photochemical
degradation. Energy may be re-emitted from an
excited molecule by mechanisms other than chemical
transformation, resulting in no change to the
parent molecule.

366 UNEP PUBLICATIONS


OECD SIDS DECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-53-1
DATE: 28.04.2005
A conservative approach to estimating a
photochemical degradation rate is to assume that
degradation will occur in proportion to the amount
of light wavelengths >290 nm absorbed by the
molecule (Zepp and Cline, 1977).

Olefins with one double bond, such as the


chemicals in the Higher Olefins category, do not
absorb appreciable light energy above 290 nm. The
absorption of UV light to cause cis-trans
isomerization about the double bond of an olefin
occurs only if it is in conjugation with an
aromatic ring (Harris, 1982a).

Products in the Higher Olefins Category do not


contain component molecules that will undergo
direct photolysis. Therefore, this fate process
will not contribute to a measurable degradative
removal of chemical components in this category
from the environment.

Reliability: Not applicable

References: Harris J C (1982a). Rate of Aqueous Photolysis.


Chapter 8 in: W. J. Lyman, W. F. Reehl, and D. H.
Rosenblatt, eds., Handbook of Chemical Property
Estimation Methods, McGraw-Hill Book Company, New
York, USA.

Zepp, R. G. and D. M. Cline (1977). Rates of


Direct Photolysis in the Aqueous Environment,
Environ. Sci. Technol., 11:359-366.

(2) Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method/
guideline followed: Calculated values using AOPWIN version 1.91,
a subroutine of the computer program EIPWIN
version 3.11 which uses a program described by
Meylan and Howard (1993). Program used the
structure for 1-decene.

Type: air
GLP: Not applicable
Year: Not applicable

Results

Indirect photolysis

Sensitiser (type): OH
Rate Constant: 35.83 E-12 cm3/molecule-sec
Degradation % after: 50% after 3.582 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3)

Sensitiser (type): Ozone

UNEP PUBLICATIONS 367


OECD SIDS DECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-53-1
DATE: 28.04.2005
Rate Constant: 1.2 E-17 cm3/molecule-sec
Degradation % after: 50% after 22.92 hrs (using avg. OH conc. of
7 E11 mol/cm3)35.8302

Reliability: (2) Reliable with restrictions. The value was


calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.

Flag: Critical study for SIDS endpoint

References: Meylan, W.M. and Howard, P.H. 1993. Computer


estimation of the atmospheric gas-phase reaction
rate of organic compounds with hydroxyl radicals
and ozone. Chemosphere 26: 2293-99

EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

B. Stability in Water

Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method/
guideline followed: Other – Technical Discussion
Type (test type):
GLP: Yes [ ] No[ ]
Year:

Test Conditions: Not applicable

Results: Not applicable

Remarks: Hydrolysis of an organic molecule occurs when a molecule


(R-X) reacts with water (H2O) to form a new carbon-
oxygen bond after the carbon-X bond is cleaved (Gould,
1959; Harris, 1982b). Mechanistically, this reaction is
referred to as a nucleophilic substitution reaction,
where X is the leaving group being replaced by the
incoming nucleophilic oxygen from the water molecule.

The leaving group, X, must be a molecule other than


carbon because for hydrolysis to occur, the R-X bond
cannot be a carbon-carbon bond. The carbon atom lacks
sufficient electronegativity to be a good leaving group
and carbon-carbon bonds are too stable (high bond
energy) to be cleaved by nucleophilic substitution.
Thus, hydrocarbons, including alkenes, are not subject
to hydrolysis (Harris, 1982b) and this fate process will
not contribute to the degradative loss of chemical
components in this category from the environment.

Under strongly acidic conditions the carbon-carbon


double bond found in alkenes, such as those in the

368 UNEP PUBLICATIONS


OECD SIDS DECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-53-1
DATE: 28.04.2005
Higher Olefins Category, will react with water by an
addition reaction mechanism (Gould, 1959). The reaction
product is an alcohol. This reaction is not considered
to be hydrolysis because the carbon-carbon linkage is
not cleaved and because the reaction is freely
reversible (Harris, 1982b). Substances that have a
potential to hydrolyze include alkyl halides, amides,
carbamates, carboxylic acid esters and lactones,
epoxides, phosphate esters, and sulfonic acid esters
(Neely, 1985).

The substances in the Higher Olefins Category are


primarily olefins that contain at least one double bond
(alkenes). The remaining chemicals are saturated
hydrocarbons (alkanes). These two groups of chemicals
contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic
mechanism discussed above. Therefore, chemicals in the
Higher Olefins Category have a very low potential to
hydrolyze, and this degradative process will not
contribute to their removal in the environment.

Conclusions: In the environment, hydrolysis will not contribute to


the degradation of decene.

Reliability: Not applicable

References: Gould, E.S. (1959) Mechanism and Structure in Organic


Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.

Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in:


W.J. Lyman, W.F. Reehl, and D.H. Rosenblatt, eds.,
Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.

Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G.


E. Blau, eds. Environmental Exposure from Chemicals. Vol
I., pp. 157-173. CRC Press, Boca Raton, FL, USA.

C. Stability In Soil

Data not available

3.2 Monitoring Data (Environment)

Data not available

3.3 Transport and Distribution

3.3.1 Transport between environmental compartments

A. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

UNEP PUBLICATIONS 369


OECD SIDS DECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-53-1
DATE: 28.04.2005
Type: Fugacity models, Mackay Levels I and III

Remarks: Trent University model used for calculations. Half-lives in


water, soil and sediment estimated using EPIWIN (EPIWIN,
2000b)

Chemical assumptions:

Molecular weight: 140


Water solubility: 0.329 g/m3
Vapor pressure: 279 Pa (25°C)
Log Kow: 5.70
Melting point: -45.48°C

Half-life in air = 5.59 hr, half-life in water = 360 hr,


half-life in soil = 360 hr, half-life in sediment = 1440 hr
Environment name: EQC Standard Environment

All other parameters were default values. Emissions for Level


I = 1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).

Results Media: Air, soil, water and sediment concentrations were


estimated

Level I Level III


Air 98.1% 1.32%
Water <1% 19.3%
Soil 1.82% 36.3%
Sediment <1% 43.0%

Remarks: Since default assumptions for release estimates were used,


resulting environmental concentrations are not provided.

Conclusions: These results indicated that decene will partition


primarily to air under equilibrium conditions (Level I model),
but approximately equally to water, soil and sediment under
the assumed pattern of chemical release (equal loading of
water, soil and air) in the Level III model.

Reliability: (2) Valid with restrictions: Data are calculated.

Flag: Critical study for SIDS endpoint

References: Trent University (2004). Level I Fugacity-based Environmental


Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version 2.80.1.
Environmental Modeling Centre, Trent University, Peterborough,
Ontario. (Available at http://www.trentu.ca/cemc)

EPIWIN (2000b). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.

B. Test Substance

Identity: CAS No. 25339-53-1, Decene

370 UNEP PUBLICATIONS


OECD SIDS DECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-53-1
DATE: 28.04.2005

Method

Type: Volatilization from water

Remarks: Calculated using the computer program EPIWIN version


3.10; based on
Henry’s Law Constant of 2.68 atm-m3/mole (HENRY
experimental database).

Results: Half-life from a model river: 1.209 hrs


Half-life from a model lake: 4.7 days

Reliability: (2) Valid with restrictions: Values are calculated

References: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

C. Test Substance

Identity: 5-decene

Method

Media: air – biota – sediment – soil - water


Method: calculation according to MacKay, Level I
GLP: Not applicable

Results

Value:
Air: 99.8%
Water: 0.1%
Soil/sediment: 0.1%

Reliability: (2) Reliable with restrictions: These data were


calculated.

Reference: MacKay, D., Multimedia Environmental Models: The


Fugacity Approach. Lewis Publishers Inc. Chelsea
Michigan USA, 1991.

Remarks: IUCLID cites Shell Chemicals UK Ltd, Chester

D. Test Substance
Identity: 5-decene
Method

Type: adsorption
Remarks: Based on a calculated KOC (6666 l/kg) for 5-decene

Media: water - soil

Results

UNEP PUBLICATIONS 371


OECD SIDS DECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-53-1
DATE: 28.04.2005
Conclusions: Substance is expected to be insignificantly mobile
in soil.

Reliability: (2) Reliable with restrictions: These data were


calculated.

References: Swann, R.L., D.A. Laskowshi, P.J. McCall, K. Vander-Kuy


and H.J. Dishburger (1983) A rapid method for the
estimation of the environmental parameters octanol/water
partition coefficient, soil sorption constant, water to
air ratio and water solubility. Residue Reviews 85:17-
28.

Remarks: IUCLID cites Shell Chemicals UK Ltd, Chester

E. Test Substance

Identity: 5-decene

Method

Type: volatility
Media: water - air

Results: Based on a calculated Henry’s Law constant for 5-decene


the volatization halflife of the substance in a model
river, depth 1 m and current 1 m/s and a wind velocity
of 3 m/s is estimated to be 3.5 hours.

Reliability: (2) Reliable with restrictions: These data were


calculated.

References: Lyman, WJ, et al, chemical Property Estimation Methods,


McGraw-Hill Book Company, New York, 1982, Chapter 15.

Remarks: IUCLID cites Shell Chemicals UK Ltd, Chester

3.3.2 Distribution

A. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method: Adsorption Coefficient (Koc) calculated value using the


computer program EPIWIN, PCKOC v 1.66 using the method
described by Meylan et al., 1992.

Test Conditions: Based on chemical structure. Program used the structure


for 1-decene.

Results

Value: Estimated Koc = 1724

Reliability: (2) Reliable with restrictions: Value is calculated.

372 UNEP PUBLICATIONS


OECD SIDS DECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-53-1
DATE: 28.04.2005

Reference: Meylan, W., P.H. Howard and R.S. Boethling (1992)


Molecular topology/fragment contribution method for
predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7.

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

B. Test Substance

Identity: 5-decene

Method: calculated Koc (soil partition coefficient)

Type: adsorption
Conditions: Brigg’s Correlation : log Koc = 0.52 log Kow + 0.88
assuming log Kow = 7

Media: water-soil

Results

Value: Koc = 33,175

Reliability: (2) Reliable with restrictions: These data were


calculated.

References: ENICHEM, Environmental partitioning model: a computer


program prepared by Garlanda T and Mascero Garlanda M.
(1990).

Remarks: IUCLID cites Shell Chemicals UK Ltd, Chester

C. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method: Henry’s Law Constant calculated value using the computer


program EPIWIN, HENRY v 3.10

Test Conditions: Bond and Group estimates based on chemical structure, at


25°C; VP/water solubility estimates based on values of
VP = 2.09 mm Hg and WS = 0.329 mg/L. Program used the
structure for 1-decene.

Results

Value: Bond estimate = 1.11 atm-m3/mole


Group estimate = 2.13 atm-m3/mole
VP/Wsol estimate = 1.17 atm-m3/mole

Reliability: (2) Reliable with restrictions: Values are calculated.

UNEP PUBLICATIONS 373


OECD SIDS DECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-53-1
DATE: 28.04.2005
Reference: EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

D. Test Substance

Identity: CAS No. 872-05-9, 1-Decene

Method

Method: Henry’s Law Constant

Test Conditions: No data

Results

Value: 2.68 atm-m3/mole at 25°C

Reliability: (2) Reliable with restrictions. The result is


experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

3.4 Aerobic Biodegradation

A. Test Substance: C10-13 Internal Olefins (Shop Olefins 103 PQ11)

Remarks: Blend of linear olefins: CAS No. 25339-53-1 (C10 = 6-


12%); CAS No. 28761-27-5 (C11 = 27-45%); CAS No. 25378-
22-7 (C12 = 37-47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method/guideline: EEC Directive 84/449/EEC; Similar to OECD (301 D)


Closed Bottle Test.
Test Type: aerobic
GLP: Yes
Year: 1984
Contact time: 28 days
Innoculum: activated sludge

Test Conditions: Microorganisms were obtained from Sittingbourne Sewage


Works (UK) and prepared according to standard test
protocols. C10-13 Alpha Olefin was added to the test
medium from a stock solution containing 2.4 g/L
emulsified in Dobane PT sulphonate. The final test
concentration was 2 mg olefins 103/L. Test bottles were
incubated at 21±1°C and the extent of biodegradation was
determined by measuring oxygen concentration in the
bottles at days 5, 15 and 28. Controls with no
microbial innoculum (control) and with medium plus
microbial innoculum only (blank) were included. Sodium
benzoate was used as a biodegradable substance to
demonstrate the activity of the microbial innoculum.

374 UNEP PUBLICATIONS


OECD SIDS DECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-53-1
DATE: 28.04.2005
Results: Under these test conditions, 103 PQ11Olefin was oxidized
to 40% of the theoretical oxygen demand by day 5 and 65-
70% by day 28 with no lag period. There was no
significant inhibition of microbial activity under the
test conditions. The report indicated that 103 Olefin
was considered readily biodegradable; however,
insufficient information was available to determine
whether the 10-day window criterion was satisfied.

Reliability: (2) Reliable with restrictions: No information on


kinetic of biodegradation or biodegradation of reference
substance.

References: Miller RC, Watkinson RJ. (1984). Olefins 103 PQ 11: An


Assessment of Ready Biodegradability. Shell Research
Limited, Sittingbourne Research Center (unpublished
report).

B. TEST SUBSTANCE

Identity: C10-13 (Shop Olefins 103), internal

Remarks: Blend of linear olefins: CAS No. 25339-53-1 (C10 = 6-


12%); CAS No. 28761-27-5 (C11 = 27-45%); CAS No. 25378-
22-7 (C12 = 37-47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method

Method/guideline: OECD 301D Closed Bottle Test


Type: Aerobic [X ] Anaerobic [ ]
GLP: Yes
Year: 1985
Contact time: 28 days
Inoculum: Activated domestic sludge

Test Conditions: Microorganisms were obtained from Sittingbourne Sewage


Works (UK) and prepared according to standard test
protocols. C10-13 Olefin was added to the test medium
from a stock solution containing 2.4 g/L emulsified in
Dobane PT sulphonate. The final test concentration was
2 mg olefins 103/L. Test bottles were incubated at
21±1°C and the extent of biodegradation was determined
by measuring oxygen concentration in the bottles at days
5, 15 and 28. Controls with no microbial innoculum
(control) and with medium plus microbial innoculum only
(blank) were included. Sodium benzoate was used as a
biodegradable substance to demonstrate the activity of
the microbial innoculum.

Results: Under these test conditions, 103 Olefin was oxidized to


54% of the theoretical oxygen demand by day 5 and 60-67%
by day 28 with no lag period. 89% of the possible
oxygen demand had been consumed in the bottles titrated
on day 15. Based on the 15-day results, the 10-day
window criterion for “readily biodegradable” appears to
have been met; however, the lower values found on day 28
confound the evaluation.

UNEP PUBLICATIONS 375


OECD SIDS DECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-53-1
DATE: 28.04.2005
Reliability: (2) Reliable with restrictions: Insufficient information
on kinetic of biodegradation or biodegradation of
reference substance.

Reference: Turner, S.J., Watkinson, R.J., (1985) Shop Olefins 103:


An assessment of Ready Biodegradability, Sittingbourne,
Shell Research Limited, SBGR.85.106 (unpublished
report).

C. TEST SUBSTANCE

Identity: CAS No. 68526-56-7; Alkenes, C9-11, C10 Rich

Method

Method/guideline: OECD 301F, Ready Biodegradability, Manometric


Respirometry Test
Type: Aerobic [X ] Anaerobic [ ]
GLP: Yes
Year: 1995
Contact time: 28 days
Inoculum: Domestic activated sludge

Test Conditions: Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride).

Test vessels were 1L glass flasks placed in a waterbath


and electronically monitored for oxygen consumption.

Test material was tested in triplicate, controls and


blanks were tested in duplicate. Test material loading
was approximately 42 mg/L. Sodium benzoate (positive
control) concentration was approximately 44 mg/L. Test
temperature was 22 +/- 1 Deg C.

All test vessels were stirred constantly for 28 days


using magnetic stir bars and plates.

Results: Approximately 21% biodegradation of the test material


was measured on day 28. Approximately 10% biodegradation
was achieved on day 17.

By day 14, >60% biodegradation of the positive control


was measured, which meets the guideline requirement. No
excursions from the protocol were noted.

Biodegradation was based on oxygen consumption and the


theoretical oxygen demand of the test material as
calculated using results of an elemental analysis of the
test material.

% Degradation* Mean % Degradation


Sample (day 28) (day 28)
Test Material 20.9, 19.9, 22.6 21.1
Na Benzoate 98.9, 95.5 97.2

376 UNEP PUBLICATIONS


OECD SIDS DECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-53-1
DATE: 28.04.2005
* replicate data

Reliability: (1) Reliable without restriction

Flag: Key study for SIDS endpoint

Reference: Exxon Biomedical Sciences, Inc. (1997) Ready


Biodegradability: OECD 301F Manometric Respirometry.
Study #119294A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).

D. TEST SUBSTANCE

Identity: CAS No. 872-05-9, 1-Decene

Method

Method/guideline: Manometric respirometry (OECD 301F)


Type: Aerobic [X ] Anaerobic [ ]
GLP: Yes
Year: 1995
Contact time: 28 days
Inoculum: Domestic activated sludge

Test Conditions: No data

Results:
Degradation = 80.9% after 28 days

Remarks: Concentration = 18.6 mg/L related to test substance. 10


day time window = day 3 to day 13; degradation at the
end of the 10 day time window = 64.9% (mean);
degradation at plateau = 81% (mean).

Reliability: (2) Reliable with restrictions. Specific test


conditions were not reported; however, the test was
conducted under GLPs and using a current OECD test
guideline. The report was reviewed for the Alpha Olefins
SIAR and the decene dossier approved at SIAM 11.

Reference: Enichem Instituto G Donegani (1995) Final report on


ready biodegradability (manometric-respirometric) of
olefin C10 (unpublished report).

Other: This study was included in the dossier for 1-decene at


SIAM 11.

E. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method/guideline: Estimated using the computer program EPIWIN v


3.10, BIOWIN v 4.00

Type: Aerobic

UNEP PUBLICATIONS 377


OECD SIDS DECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-53-1
DATE: 28.04.2005
Test Conditions: Estimates use methods described by Howard et al., 1992;
Boethling et al., 1994; and Tunkel et al., 2000.
Estimates are based upon fragment constants that were
developed using multiple linear and non-linear
regression analyses.

Results: Linear model prediction: Biodegrades fast


Non-linear model prediction: Biodegrades fast
Ultimate biodegradation timeframe: Weeks
Primary biodegradation timeframe: Days
MITI linear model prediction: Biodegrades fast
MITI non-linear model prediction: Biodegrades fast

Reliability: (2) Reliable with restriction: Results are


estimated

Reference: Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J.


Beaumann and N. Tirado (1994) Group contribution method
for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.

Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M.


Meylan, A.E. Hueber, J.A. Beauman and M.E. Larosche
(1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data.
Environ. Toxicol. Chem. 11:593-603.

Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and


H. Loonen (2000) Predicting ready biodegradability in
the MITI Test. Environ. Toxicol. Chem. (accepted for
publication)

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

3.9 BOD5, COD or ratio BOD5/COD

No data available

3.6 Bioaccumulation

Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method: BCF calculated value using the computer program EPIWIN, BCF v
2.15

Test Conditions: Based on chemical structure and an experimental Log Kow of


5.70 from the EPIWIN database, using methods described by
Meylan et al., 1999. Formula used to make BCF estimate: Log
BCF = 0.77 log Kow – 0.70 + correction (alkyl chains [8+ -CH2-
groups] with a value of -1).

Results

378 UNEP PUBLICATIONS


OECD SIDS DECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25339-53-1
DATE: 28.04.2005

Value: Estimated Log BCF = 2.689 (BCF = 488.7)

Reliability: (2) Reliable with restrictions: Results are calculated.

Reference: Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved


method for estimating bioconcentration / bioaccumulation
factor from octanol/water partition coefficient. Environ.
Toxicol. Chem. 18(4): 664-672

EPIWIN (2000b). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.

3.7 Additional Information

Sewage Treatment

Test Substance

Identity: CAS No. 25339-53-1, Decene

Test Method: Calculated, EPIWIN STP Fugacity Model, predicted fate in a


wastewater treatment facility. Input values: MW = 140.27;
Henry’s LC = 2.68 atm-m3/mol; air-water partition coefficient
= 109.604; Log Kow =5.7; biomass to water partition
coefficient = 100,238; temperature = 25°C
GLP: No
Test Medium: Secondary waste water treatment (water)
Test Type: Aerobic

Test Results: 99.89 % removed from wastewater treatment

Reference: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse, NY.
USA.

UNEP PUBLICATIONS 379


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
4.1 Acute Toxicity to Fish

A. Test Substance

Identity: CAS No. 68526-56-7; Alkenes, C9-11, C10 Rich

Method

Method/guideline: OECD 203


Test type: Semistatic Fish Acute Toxicity Test
GLP: Yes [X ] No [ ]
Year: 1995
Species/Strain: Rainbow Trout (Oncorhynchus mykiss)
Analytical Monitoring: Yes
Exposure period: 96 hours
Statistical methods: Trimmed Spearman-Karber Method (Hamilton, M.A. et
al. 1977. Trimmed Spearman-Karber Method for Estimating
Median Lethal Concentration in Toxicity Bioassays.
Environ. Sci. Technol. 11:714-719.)

Test Conditions: Each test solution was prepared by adding the test
substance, via syringe, to 19.5 L of laboratory blend
water in 20 L glass carboys. The solutions were mixed
for 24 hours with a vortex of <10%. Mixing was performed
using a magnetic stir plate and Teflon coated stir bar
at room temperature (approximately 22C). After mixing,
the solutions were allowed to settle for one hour after
which the Water Accommodated Fraction (WAF) was siphoned
from the bottom of the mixing vessel through a siphon
that was placed in the carboy prior to adding the test
material. Test vessels were 4.0 L aspirator bottles that
contained approximately 4.5 L of test solution. Each
vessel was sealed with no headspace after 4 fish were
added. Three replicates of each test material loading
were prepared. Approximately 80% of each solution was
renewed daily from a freshly prepared WAF.

Test material loading levels included: 0.2, 0.4, 1.2,


3.5, and 10 mg/L, which measured 0.01, 0.03, 0.06, 0.08,
and 2.6 mg/L, respectively, and are based on the mean of
samples taken from the new and old test solutions. A
control containing no test material was included and the
analytical results were below the quantitation limit,
which was 0.03 mg/L.

Water hardness was 160-180 mg/L as CaCO3. Test


temperature was 16C (sd = 0.2). Lighting was 445 to 555
Lux with a 16-hr light and 8-hr dark cycle. Dissolved
oxygen ranged from 8.7 to 9.9 mg/L for "new" solutions
and 7.2 to 8.5 mg/L for "old" solutions. The pH ranged
from 7.0 to 8.8 for "new" solutions and 7.3 to 8.7 for
"old" solutions.

Fish supplied by Thomas Fish Co. Anderson, CA, USA; age


at test initiation = approximately 5 weeks; mean wt. at
test termination = 0.175 g; mean total length at test
termination = 3.0 cm; test loading = 0.19 g of fish/L.
The fish were slightly shorter than the guideline
suggestion of 4.0 to 6.0 cm, which were purposely
selected to help maintain oxygen levels in the closed

380 UNEP PUBLICATIONS


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
system. Fish size had no significant effect on study
outcome.

Results: 96-hour LL50 = 4.8 mg/L (95% CI 3.8 to 6.0 mg/L) based
upon loading rates.
96-hour LC50 = 0.12 mg/L (95% CI 0.11 to 0.14 mg/L)
based upon measured values of old and new solutions.

Analytical method used was Headspace Gas Chromatography


with Flame Ionization Detection (GC-FID).

Loading Measured Fish Total


Rate (mg/L) Conc. (mg/L) Mortality (@96 hrs)*
Control Control 0
0.2 0.01 0
0.4 0.03 0
1.2 0.06 0
3.5 0.08 3
10 0.26 15**

* 15 fish added at test initiation


** 1 mortality not test related

Reliability: (1) Reliable without restriction

Flag: Key study for SIDS endpoint

References: Exxon Biomedical Sciences, Inc. (1996) Fish, Acute


Toxicity Test. Study #119258. Exxon Biomedical Sciences,
Inc., East Millstone, NJ, USA (unpublished report).

B. Test Substance

Identity: Olefins 103 PQ 11 (C10-C13 internal olefins)

Remarks: Blend of linear olefins: CAS No. 25339-53-1 (C10 = 6-


12%); CAS No. 28761-27-5 (C11 = 27-45%); CAS No. 25378-
22-7 (C12 = 37-47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method/Guideline: Not stated

Year (guideline): Not stated


Type (test type): Semi-static Fish Acute Toxicity Test
GLP: Not stated
Year (study performed): 1984
Species: Rainbow Trout (Salmo gairdneri)
Analytical Monitoring: No
Exposure Period: 96 Hours
Statistical Method: Visual inspection

Test Conditions: Control and dilution water was laboratory mains


tap water obtained from bore holes in the chalk of North
Downs (U.K.). Water was dechlorinated and passed
through particle and activated carbon filters
(alkalinity 253 mg/L as CaCO3, hardness 274 mg/L as
CaCO3, conductivity 510 µS/cm, pH 7.3). Test vessels
were glass aquaria each filled with 10 L of water and
contained 10 fish per vessel. Quantities of test
substance were added directly to six aquaria to give
concentrations of 20, 50, 100, 200, 500, and 1000 mg/L.
The seventh aquarium served as a control and received no

UNEP PUBLICATIONS 381


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
test substance. The fish were not fed during the test.
Test fish had a mean length of 3.0 cm (range 2.5 to 3.3
cm) and a mean weight of 0.23 g (range 0.15 to 0.32 g).
Fingerlings were obtained from Itchen Valley Trout Farm,
Alresford, Hampshire, U.K. and acclimated to test
conditions for more than 10 days before use. One
replicate per treatment and control was used. The
aquaria were gently aerated to maintain dissolved oxygen
concentration. At 24 h intervals, the number of dead
fish was recorded and any dead removed, dissolved oxygen
and pH were measured in the old and fresh solutions of
the control and high concentration, and the test
solutions were renewed. Temperature in one test
aquarium was monitored at 4h intervals throughout the
test. Total hardness was determined in each batch of
fresh media. Test temperature was 13-17 Deg C. Dissolved
oxygen ranged from 10.0 to 10.4 mg/L in the fresh media
and 9.8 to 10.2 mg/L in the old solutions. pH was 8.2 –
8.4. Total hardness was 240-260 mg/L as CaCO3.
Photoperiod was not stated in the test report.

Results:

Units/Value: 96h LL0 was =1000 mg/L; LC50 > solubility

Remarks: Observations made during the study suggest the test


substance was not wholly soluble at concentrations of
approximately 20 mg/L and greater as indicated by an
oily film visible on the surface of the test solutions.
Concentrations were expressed as the amount of test
substance added.
No fish died during the 96h exposure in the 1000 mg/L
treatment. The 96h LC50 was > solubility. There were
also 100% survival in the control, 50, 100, 200 and 500
mg/L treatments. One fish died (10% mortality) in the 20
mg/L treatment. Although the report did not state
whether the study was conducted under GLP, a quality
assurance statement was included stating that study
procedures were inspected and the report was audited.

Reliability: (2) Reliable with restrictions. Test substance was not


wholly soluble at the concentrations tested. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Other shortcomings of the study include: 1)
only one replicate per concentration was used, and 2)
analytical verification of the test substance in the
exposure solutions was not performed.

Reference: Shell Research Limited (1984) Olefins 103 PQ 11: Acute


toxicity to Salmo gairdneri, Daphnia magna and
Selenastrum capricornutum. Sittingbourne Research
Centre, SBGR.83.359 (unpublished report).

C. Test Substance

Identity: SHOP Olefins 103 (C10-C13 linear internal olefins)

382 UNEP PUBLICATIONS


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method/Guideline: Not stated

Year (guideline): Not stated


Type (test type): Semi-static Fish Acute Toxicity Test
GLP: Not stated
Year (study performed): 1985
Species: Rainbow Trout (Salmo gairdneri)
Analytical Monitoring: No
Exposure Period: 96 Hours
Statistical Method:

Test Conditions: Control and dilution water was laboratory mains


tap water obtained from bore holes in the chalk of North
Downs (U.K.). Water was dechlorinated and passed
through particle and activated carbon filters
(alkalinity 255 mg/L as CaCO3, hardness 270 mg/L as
CaCO3, conductivity 545 µS/cm, pH 7.4). Test vessels
were glass aquaria each filled with 10 L of water and
contained 10 fish per vessel. Quantities of test
substance were added directly to two aquaria to give
concentrations of 500 and 1000 mg/L. A third aquarium
served as a control and received no test substance. The
fish were not fed during the test. Test fish had a mean
length of 4.1 cm (range 3.9 to 4.5 cm) and a mean weight
of 0.66 g (range 0.47 to 0.86 g). Fingerlings were
obtained from Itchen Valley Trout Farm, Alresford,
Hampshire, U.K. and acclimated to test conditions for
more than 10 days before use. One replicate per
treatment and control was used. The aquaria were gently
aerated to maintain dissolved oxygen concentration. At
24 h intervals, the number of dead fish was recorded and
any dead removed, dissolved oxygen and pH were measured
in the old and fresh solutions of the control and high
concentration, and the test solutions were renewed.
Temperature in one test aquarium was monitored at 4h
intervals throughout the test. Total hardness was
determined in each batch of fresh media. Test
temperature was 18.5±1.0 Deg C. Dissolved oxygen ranged
from 9.6 to 10.2 mg/L in the fresh media and 9.0 to 9.8
mg/L in the old solutions. pH was 7.4 – 8.4. Total
hardness was 222-262 mg/L as CaCO3. Photoperiod was not
stated in the test report.

Results:

Units/Value: 96h LC50 was > solubility; LL0 = 1000 mg/L

Remarks: The test substance was not wholly soluble at the test
concentrations and was visible as floating droplets.
Concentrations were expressed as the amount of test
substance added. Only one fish died during the 96h
exposure in the 1000 mg/L treatment. The 96h LC50 was >

UNEP PUBLICATIONS 383


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
solubility. There was 100% survival in the control and
500 mg/L treatment.

Reliability: (2) Reliable with restrictions. Test substance was not


wholly soluble at the concentrations tested. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Other shortcomings of the study include: 1)
only two concentrations were tested, 2) only one
replicate per concentration was used, and 3) analytical
verification of the test substance in the exposure
solutions was not performed.

Reference: Shell Research Limited (1985) SHOP Olefins 103: Acute


toxicity (Salmo gairdneri, Daphnia magna and Selenastrum
capricornutum) and n-octanol/water partition
coefficient. Sittingbourne Research Centre, SBGR.85.182
(unpublished report).

Other: This study was included in the dossier for 1-decene at


SIAM 11. Additional information has been added.

4.2 Acute Toxicity to Aquatic Invertebrates (e.g. Daphnia)

A. Test Substance

Identity: Olefins 103 PQ 11 (C10-C13 linear internal olefins)

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method/Guideline: Not stated

Year (guideline): Not stated


Type (test type): Static Daphnid Acute Toxicity Test
GLP: Not stated
Year (study performed): 1983
Species: Water Flea (Daphnia magna)
Analytical Monitoring: No
Exposure Period: 48 hours
Statistical Method: Probit analysis

Test Conditions: Nominal loading rates in the definitive test were


0, 0.05, 0.1, 0.2, 0.5, 1, 2, and 5 mg/L. Control and
dilution water was reconstituted hard water prepared by
adding salts to glass-distilled deionized water
following EPA guidelines (hardness 170 mg/L as CaCO3).
Quantities of stock solutions of the test substance in
acetone were added to triplicate sets of 140 ml conical
flasks and made up to 140ml with dilution water. Three
flasks served as controls and received no test
substance. Acetone concentration in control and test
flasks was 0.1 ml/L. Ten daphnids, less than 24h old,
were placed in each flask. Daphnids were obtained from

384 UNEP PUBLICATIONS


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
laboratory cultures and collected from cultures aged
between 15 and 35 days. Young for testing were not taken
from cultures containing adults with ephippia. In order
to minimize daphnids from potentially being trapped in
undissolved test substance at the surface of the test
solutions, loosely fitting black paper caps were placed
over the flasks to create a darkened zone which the
daphnids would avoid. After 24 and 48h, the numbers of
immobilized daphnids were recorded. Temperature in one
test vessel was monitored at 4h intervals. The pH and
dissolved oxygen concentration in a control and highest
treatment were determined at test initiation and
termination. Total hardness of the dilution water used
was measured at the beginning of the test. Test
temperature was 18 – 22 Deg C. Photoperiod was 16 hrs
light and 8 hrs dark. Dissolved oxygen ranged from 8.8
to 9.2 mg/L. pH was 8.0 – 8.3. Total hardness of the
water was 170 mg/L as CaCO3.

Results:

Units/Value: 48-h EL50 = 0.74 mg/L (nominal)

Remarks No undissolved test substance was observed even at 5


mg/L, the highest concentration tested.. Concentrations
were expressed as the amount of test substance added.
48-h EL50 = 0.74 mg/L (nominal) with 95% confidence
limits of 0.61-0.88 mg/L. There was no immobilization of
D. magna in the control, 0.05, and 0.1mg/L after 48-h.
There were 1 (3.3%), 7 (23.3%), 19 (63.3%), 30 (100%)
and 30 (100%) daphnids immobilized in the 0.2, 0.5, 1,
2, and 5 mg/L, respectively. Although the report did not
state whether the study was conducted under GLP, a
quality assurance statement was included stating that
study procedures were inspected and the report was
audited.

Reliability: (2) Reliable with restrictions. This study was well


documented and comparable to a guideline study.
Information provided indicate that test concentrations
did not appear to have exceeded water solubility of the
test substance as evidenced by absence of undissolved
material in the exposure solutions. However, analytical
verification of the test substance in the test solutions
was not performed.

Flag: Key study for SIDS endpoint

Reference: Shell Research Limited (1984) Olefins 103 PQ 11: Acute


toxicity to Salmo gairdneri, Daphnia magna and
Selenastrum capricornutum. Sittingbourne Research
Centre, SBGR.83.359 (unpublished report).

Other: This study was included in the dossier for 1-decene at


SIAM 11. Additional information has been added.

B. Test Substance

Identity: SHOP Olefins 103 (C10-C13 linear internal olefins)

UNEP PUBLICATIONS 385


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method/Guideline: Not stated

Year (guideline): Not stated


Type (test type): Static Daphnid Acute Toxicity Test
GLP: Yes
Year (study performed): 1985
Species: Water Flea (Daphnia magna)
Analytical Monitoring: No
Exposure Period: 48 hours
Statistical Method: Probit analysis

Test Conditions: Nominal loading rates in the definitive test were


0, 1.0, 2.2, 4.6, 10, 22, 46, 100, 220, 460 and 1000
mg/L. Control and dilution water was reconstituted hard
water prepared by adding salts to glass-distilled
deionized water following EPA guidelines (hardness 168-
169 mg/L as CaCO3). Before use, a soil extract was added
to the reconstituted fresh water at 20 ml/L. The soil
extract was prepared by autoclaving 100 g soil/L
distilled water for 15 min at 120 deg C and filtered
through Whatman GF/C filter. Quantities of stock
solutions of the test substance in Analar acetone were
added to triplicate sets of 140 ml glass flasks and made
up to 140ml with dilution water. Three flasks served as
controls and received no test substance. Acetone
concentration in control and test flasks was 0.1 ml/L.
Ten daphnids, less than 24h old, were placed in each
flask. Daphnids were obtained from laboratory cultures
and collected from cultures aged between 15 and 35 days.
Young for testing were not taken from cultures
containing adults with ephippia. In order to minimize
daphnids being trapped in the surface layer of test
substance visible at all test concentrations, loosely
fitting black caps were placed over the flasks to create
a darkened zone which the daphnids would avoid. After
24 and 48h, the numbers of immobilized daphnids were
recorded. Temperature in one test vessel was monitored
at 4h intervals. The pH and dissolved oxygen
concentration in a control and highest treatment were
determined at test initiation and termination. Total
hardness of the dilution water used was measured at the
beginning of the test. Test temperature was 18 – 22 Deg
C. Photoperiod was 16 hrs light and 8 hrs dark.
Dissolved oxygen ranged from 8.6 to 9.0 mg/L. pH was 8.0
– 8.4. Total hardness of the water was 170 mg/L as
CaCO3.

Results:

Units/Value: 48-h EL50 = 480 mg/L(nominal)

Remarks: The test substance was not wholly soluble at all test
concentrations and was visible at the surface.
Concentrations were expressed as the amount of test
substance added. 48-h EL50 = 480 mg/L with 95%
confidence limits of 400-580 mg/L. There was no
immobilization of D. magna in the control, 1.0, 2.2,

386 UNEP PUBLICATIONS


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
4.6, 10, 22, 46 and 100 mg/L after 48-h. There were 3
(10%), 14 (46.7%), and 27 (90%) daphnids immobilized in
the 220, 460, and 1000 mg/L, respectively.

Reliability: (3) Not Reliable. Test substance was not wholly soluble
at the concentrations tested despite the use of a
solvent carrier to prepare stock solutions. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Analytical verification of the test substance
in the exposure solutions was also not performed.

Reference: Shell Research Limited (1985) SHOP Olefins 103: Acute


toxicity (Salmo gairdneri, Daphnia magna and Selenastrum
capricornutum) and n-octanol/water partition coefficent.
Sittingbourne Research Centre, SBGR.85.182 (unpublished
report).

Other: This study was included in the dossier for 1-decene at


SIAM 11. Additional information has been added.

4.3 Toxicity to Aquatic Plants (e.g. Algae)

A. Test Substance

Identity: Olefins 103 PQ 11 (C10-C13 linear internal olefins)

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method/Guideline: Not stated

Year (guideline): Not stated


Type (test type): Algal Toxicity Test
GLP: Not stated
Year (study performed): 1983
Species: Freshwater Green Alga (Selenastrum capricornutum)
Analytical Monitoring: No
Exposure Period: 4 days
Statistical Method: EL50 values determined by probit analysis

Test Conditions: Control and dilution water was algal nutrient


medium prepared by dissolving Analar grade salts in
glass-distilled deionized water according to EPA
guidelines except that boric acid was present at 105
µg/L and sodium bicarbonate at 50 mg/L. Sixteen
Erlenmeyer flasks containing 50 ml of culture medium
were prepared. Quantities of stock solutions of the test
substance in acetone were added to ten flasks to give
concentrations of 1.0, 2.2, 4.6, 10, 22, 46, 100, 220,
460, and 1000 mg/L. Six flasks served as controls and
received no test substance. Acetone concentration in the
control and treatment flasks was 0.1 ml/L. Each flask
was inoculated with algal cells to yield an initial
concentration of 500 cells/ml. Algal cells were obtained
from laboratory cultures that were originally derived
from a strain from American Type Culture Collection

UNEP PUBLICATIONS 387


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
(ATCC 22662). Flasks were incubated in a cooled orbital
(100 cycles/min) incubator under constant illumination
(~3000 lux) at 22-26 deg C (monitored at 4h intervals).
After 2 and 4 days incubation, cell counts were made
using a Coulter Counter. The initial pH in the control
and highest concentration was 7.9 – 8.0. The 96h EC50
(concentration causing a 50% reduction in cell number at
day 4 compared to mean control cell number at day 4) was
calculated using log transformed concentration values.

Results:

Units/Value: 96h EL50 based on cell numbers at day 4 was 24


mg/L

Remarks: The test substance was not wholly soluble at


concentrations of approximately 20 mg/L and greater as
indicated by an oily film visible on the surface of the
test solutions. Concentrations were expressed as the
amount of test substance added. The 96h EC50 based on
cell numbers at day 4 was 24 mg/L with 95% confidence
limits of 2.9-79 mg/L).

Nominal Day 4 Cell Conc. Day 4 cell number as %


Conc. (mg/L) (cells/ml x 106) Day 4 mean control cell number
Control 1.03(mean)
1.0 1.1 112
2.2 1.1 110
4.6 1.1 108
10 0.87 85
22 0.33 32
46 0.092 9
100 0.13 13
220 0.11 11
460 0.093 9
1000 0.096 9

Although the report did not state whether the study was
conducted under GLP, a quality assurance statement was
included stating that study procedures were inspected
and the report was audited.

Reliability: (3) Not Reliable. Test substance was not wholly soluble
at some of the concentrations tested despite the use of
a solvent carrier to prepare stock solutions. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Other shortcomings of the study include: 1)
only one replicate per concentration was used, and 2)
analytical verification of the test substance in the
exposure solutions was not performed.

Reference: Shell Research Limited (1984) Olefins 103 PQ 11: Acute


toxicity to Salmo gairdneri, Daphnia magna and
Selenastrum capricornutum. Sittingbourne Research
Centre, SBGR.83.359 (unpublished report).

388 UNEP PUBLICATIONS


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
B. Test Substance

Identity: SHOP Olefins 103 (C10-C13 linear internal olefins)

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method/Guideline: Not stated

Year (guideline): Not stated


Type (test type): Algal Toxicity Test
GLP: Yes
Year (study performed): 1985
Species: Freshwater Green Alga (Selenastrum capricornutum)
Analytical Monitoring: No
Exposure Period: 4 days
Statistical Method: EC50 values determined by probit analysis

Test Conditions: Control and dilution water was algal nutrient


medium prepared by dissolving Analar grade salts in
glass-distilled deionized water according to EPA
guidelines except that boric acid was present at 105
µg/L and sodium bicarbonate at 50 mg/L. Sixteen
Erlenmeyer flasks containing 50 ml of culture medium
were prepared. Quantities of stock solutions of the test
substance in Analar acetone were added to ten flasks to
give concentrations of 1.0, 2.2, 4.6, 10, 22, 46, 100,
220, 460, and 1000 mg/L. Six flasks served as controls
and received no test substance. Acetone concentration in
the control and treatment flasks was 0.1 ml/L. Each
flask was inoculated with algal cells to yield an
initial concentration of 500 cells/ml. Algal cells were
obtained from laboratory cultures that were originally
derived from a strain from American Type Culture
Collection (ATCC 22662). Flasks were incubated in a
cooled orbital (100 cycles/min) incubator under constant
illumination (~3000 lux) at 22.0-26.5 deg C (monitored
at 4h intervals). After 2 and 4 days incubation, cell
counts were made using a Coulter Counter. The pH in the
control and highest concentration ranged from 7.4 – 7.6
at test initiation and 7.1 – 7.4 at test termination.
The 96h EC50 (concentration causing a 50% reduction in
cell number at day 4 compared to mean control cell
number at day 4) was calculated using log transformed
concentration values.

Results:

Units/Value: 96h EL50 based on cell numbers at day 4 was 22 mg/L

Remarks: The test substance was not wholly soluble at 220, 460,
and 1000 mg/L and was visible as floating droplets which
precluded cell counting. Concentrations were expressed
as the amount of test substance added.
The 96h EL50 based on cell numbers at day 4 was 22 mg/L
with 95% confidence limits of 19-24 mg/L).

UNEP PUBLICATIONS 389


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
Nominal Day 4 Cell Conc. Day 4 cell number as %
Conc. (mg/L) (cells/ml x 106) Day 4 mean control cell number
Control 1.25(mean)
1.0 1.4 115
2.2 1.1 92
4.6 1.4 111
10 1.1 87
22 0.63 51
46 0.12 10
100 0.015 1

Reliability: (3) Not Reliable. Test substance was not wholly soluble
at some of the concentrations tested despite the use of
a solvent carrier to prepare stock solutions. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Other shortcomings of the study include: 1)
only one replicate per concentration was used, and 2)
analytical verification of the test substance in the
exposure solutions was not performed.

Reference: Shell Research Limited (1985) SHOP Olefins 103: Acute


toxicity (Salmo gairdneri, Daphnia magna and Selenastrum
capricornutum) and n-octanol/water partition coefficent.
Sittingbourne Research Centre, SBGR.85.182 (unpublished
report).

Other: This study was included in the dossier for 1-decene at


SIAM 11. Additional information has been added.

4.4 Toxicity to Micro-organisms, e.g. Bacteria

A. Test Substance

Identity: CAS No. 85535-87-1, Alkenes C10-13, linear internal olefins

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No. 28761-27-5
(C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-47%); CAS No.
25377-82-6 (C13 = 8-17%)

Method

Method: Inhibition of growth


GLP: No data
Species: Pseudomonas fluorescens
Exposure
Period: No data
Analytical
Monitoring: No data

Results: Maximum inhibition was 19% at 1000 mg/L

Reliability: (4) Not assignable

390 UNEP PUBLICATIONS


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
Reference: Turner, S.J., Watkinson, R.J., (1985) Shop Olefins 103: An
assessment of Ready Biodegradability, Sittingbourne, Shell
Research Limited, SBGR.85.106 (unpublished report).

Other: This study was included in the dossier for 1-decene at SIAM
11.

B. Test Substance

Identity: CAS No. 592-41-6, 1-Hexene; CAS No. 111-66-0, 1-Octene;


CAS No. 872-05-9, 1-Decene; CAS No. 1120-36-1, 1-
Tetradecene (Analytical Grade)

Method

Method : Acute static bioassay


GLP: No
Type: Aquatic
Species: Thirteen marine bacteria
Exposure Period: 16 hours
Analytical Monitoring: No data

Test Conditions: Water samples collected from Cleveland and Victoria


Point on the Brisbane coast, southeastern Queensland,
Australia, were cultured on marine salts medium
solidified with 1.5% agar. Thirteen different marine
bacteria were isolated and transferred to new media.
This culture was maintained at 30°C and subcultured
weekly. The test articles were dissolved in ethanol and
added to media (maximum 0.1 ml in 50 ml). 0.1 mg of
bacterial culture containing 8 x 1010 bacteria per ml
was added. Each experiment was performed in triplicate.
Controls consisting of bacteria inoculated into the
medium, without test compounds, both with and without
ethanol were run simultaneously. Absorbance at 600 nm
was determined, followed by incubation without shaking
at 30°C. After 16 hours, the absorbance was remeasured
and the differences were calculated and expressed as a
percentage of the difference in absorbance of the
control. These data were then converted to Probit units
and least-squares linear regression equation against
toxicant concentration was obtained. From these
regression equations, the effective concentration of the
test compound that inhibits bacterial growth by 50 and
/or 10% (EC50 and EC10, respectively) was determined.

Results: Only 1-hexene exerted a toxic effect [log EC10 = -0.49];


however, the calculated log EC50 was 0.46, indicating a
value >100% saturation in sea water. The other 1-alkenes
were not toxic up to levels of 100% saturation.

Reliability: (1) Reliable without restrictions

Reference: Warne, M. St. J. Connell, D.W., Hawker, D. W., and G.


Schuurmann (1989) Quantitative Structure-Activity
Relationships for the Toxicity of Selected Shale Oil

UNEP PUBLICATIONS 391


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
Components to Mixed Marine Bacteria. Ecotoxicology and
Environmental Safety, 17: 133-148.

Other: This study was included in the dossiers for 1-hexene and
1-tetradecene at SIAM 11. Additional information has
been added.

4.5 Chronic Toxicity to Aquatic Organisms

A. Chronic Toxicity to Fish

Test Substance: CAS No. 25339-53-1, Decene

Method/Guideline:

Type (test type): 30-day Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000b)

Species: Fish

Test Conditions: The program uses structure-activity relationships (SARs)


to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 5.12, which was estimated by EPIWIN using the
structure for 1-decene.

Results:

Units/Value: Estimated 30-day ChV = 26 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

B. CHRONIC TOXICITY TO AQUATIC INVERTEBRATES

(1) Test Substance: CAS No. 872-05-9, 1-Decene

Method/Guideline: OECD Guideline 211

392 UNEP PUBLICATIONS


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
Year (guideline): 1998
Type (test type): Daphnid Chronic Toxicity Test
GLP (Y/N): Yes
Year (study performed): 2004
Species: Daphnia magna Straus
Analytical Monitoring: Yes
Exposure Period: 21 days
Statistical Method: The EC10 and EC50 values were calculated
using the Power Model of the Benchmark Dose (BMD)
method (USEPA, 2001). The LOEC and NOEC was
determined using the Wilcoxon Rank Sum (Hollander
and Wolfe, 1999) with Bonferroni Adjustment
(Bland, 1995) using TOXSTAT software (Gulley,
1994). TOXSTAT was also used to perform a t-test
with Bonferroni Adjustment (Bland, 1995) to
analyze the growth data.
United States Environmental Protection Agency
(USEPA), Benchmark Dose software, V1.3.1. 2001.
Hollander, M. and Wolfe, D.A., Nonparametric
Statistical Methods 2nd Ed, John Wiley and Sons,
New York, 1999.
Gulley, DD and WEST, Inc. TOXSTAT, V.3.4. Western
Ecosystems Technology, Inc. Cheyenne, WY, 1994.
Bland, MJ., “Multiple significance tests: the
Bonferroni method”, British Medical Journal, v310,
pg. 170, 1995.

Test Conditions: 1-Decene in a closed system was aerated using an


air stone at an air flow rate of 160 to 180 cc/min.
The vapor generated from the aeration procedure
flowed into an aspirator bottle and bubbled through
vehicle/dilution medium (reconstituted water). The
1-decene saturated vapor passed through an air
stone near the bottom of the aspirator bottle
providing maximum contact between the test
substance in the vapor phase and vehicle/dilution
medium. This procedure was followed to develop a
stock solution, which was diluted to achieve a
range of exposure solutions.
The test chambers were 125 mL capacity clear glass
bottles with foil lined screw tops (no headspace).
One daphnid was added to each of 10 replicates.
The Daphnia were cultured in-house, were <24 hours
old, and were from 16-day old parents. The test
was performed using a static daily renewal of
exposure solutions. Observations for abnormal or
immobilized daphnids and neonates were made on each
replicate at approximately 24-hour intervals.
Test organisms were fed daily when solutions were
renewed by adding 0.4 mL of a 1.3E8 cells/mL
suspension of Pseudokirchneriella subcapitata to
provide approximately 4.2E5 cells/mL. Test
organisms were also fed during renewals with 0.05
mL of a 2.5 g/L Microfeast PZ-20 suspension. The
feeding rate supplied approximately 0.1 mgC/adult
daphnid/day.

UNEP PUBLICATIONS 393


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
Mean test temperature was 20.6°C (S.D. = 0.2) and
diurnal light was approximately 16 hours light and
8 hours dark with 16 to 19 µE•m-2•s-1 during full
daylight periods. Dissolved oxygen ranged from 7.8
to 9.4 mg/L and pH ranged from 8.0 to 8.4 during
the study. Water hardness was 150 mg/L as CaCO3.
The TOC of the dilution water was 0.5127 ppm.
The analytical method used was static headspace
GC-FID (HS GC-FID). The methods practical
quantitation limit (PQL) is approximately 0.12
ng/mL (µg/L) and corresponds to the concentration
of the lowest analyzed analytical standard.

Results:
Units/Value: Effect Concentration (EC10 and EC50) based
on reproduction:
EC10 EC50
21 day 20.0 µg/L (16.2 µg/L*) 28.1 µg/L
(27.2 µg/L*)
* 95% Lower Confidence Interval

The LOEC was 28.7 µg/L, the highest concentration


tested. The NOEC was 19.4 µg/L. The LOEC and NOEC
are based on reproduction and growth. The NOEC
based on mortality was 28.7 µg/L, the highest
concentration tested.

The control daphnids released their first brood on


days 8 and 10. The coefficient of variation for
control fecundity was 8.7%.
The following are the endpoint results for the
control and exposure solutions.
Nominal Measured Adult Neonates Adult
Conc. Conc.** Mortality per Adult Avg.
Length
(µg/L) (µg/L) % (mm)
Control 0 0 153 5.8
10 5.91 10 151 5.6
16 8.74 10 155 5.8
25 12.8 10 138 5.6
40 19.4 0 140 5.6
60 28.7 10 68 5.2
** Average of new and old solutions (3 replicates
each) sampled on day 0 & 1, 7 & 8; 14 & 15, 20 &
21. The sample size for each concentration was n
= 24, except for the 5.91 µg/L concentration, the
sample size was n = 23. One sample was not used.
It was noted that the stock container outlet was
not purged, resulting in a spurious value. The
table below shows the new and old range of
concentrations.

394 UNEP PUBLICATIONS


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
Nominal Measured Conc. Measured Conc.
Conc. new solutions old solutions
(µg/L) (µg/L) (µg/L)
Control 0 0
10 8.15 - 18.4 0.06†
16 13.6 - 24.0 0.06† - 0.126
25 21.3 - 30.2 0.06† - 0.160
40 30.6 - 48.2 0.06† - 0.211
60 44.5 - 68.0 0.06† - 0.477
† 1-decene not detected above Practical
Quantitation Limit (PQL= 0.12 µg/L). PQL X 0.5
(0.06 µg/L) used in place of < PQL.

The maximum water solubility of 1-decene under the


conditions used to generate the stock solution for
this study was approximately 210 µg/L.

Conclusion: The 1-decene Daphnia magna 21 day EC10 was 20.0


µg/L and the EC50 was 28.1 µg/L. Reproduction and
growth were more sensitive than survival, resulting
in an NOEC of 19.4 µg/L and an LOEC of 28.7 µg/L.

Flag: Key study for SIDS endpoint

Reliability: (1) Reliable without restriction.

Reference: ExxonMobil Biomedical Sciences, Inc. (2004).


Daphnia magna Reproduction Test with 1-DECENE.
Study # 180446. Performed at ExxonMobil Biomedical
Sciences, Inc. Annandale, NJ.

Other (source): Higher Olefins Panel, American Chemistry


Council

(2) Test Substance: CAS No. 25339-53-1, Decene

Method/Guideline:

Type (test type): 16-day EC50 value calculated using the computer
program ECOSAR, version 0.99g included in the EPI
Suite software, v 3.11 (EPIWIN, 2000b)

Species: Daphnia magna

Test Conditions: The program uses structure-activity relationships


(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used

UNEP PUBLICATIONS 395


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
for input into EPIWIN. The program used a Kow
value of 5.12, which was estimated by EPIWIN using
the structure for 1-decene.

Results:

Units/Value: Estimated 16-day EC50 = 32 µg/L

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

4.6 Toxicity to Terrestrial Organisms

A. Toxicity to Terrestrial Plants.

Test Substance: CAS No. 25339-53-1, Decene

Method/Guideline:

Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000b)

Species: Green algae

Test Conditions: The program uses structure-activity relationships (SARs)


to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 5.12, which was estimated by EPIWIN using the
structure for 1-decene.

Results:

Units/Value: Estimated 96-hr ChV = 73 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

396 UNEP PUBLICATIONS


OECD SIDS DECENE
4. ECOTOXICITY ID: 25339-53-1
DATE: 28.04.2005
B. Toxicity to Soil Dwelling Organisms.

No data available

C. Toxicity to Other Non Mammalian Terrestrial Species (including Avian)

No data available

4.7 Biological Effects Monitoring (including Biomagnification)

No data available

4.8 Biotransformation and Kinetics

No data available

4.9 Additional Information

No data available

UNEP PUBLICATIONS 397


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005
5.1 Toxicokinetics, Metabolism and Distribution

Test Substance: CAS No. 111-66-0, 1-Octene, >99%; CAS No. 124-11-8, 1-Nonene,
>99%; CAS No. 872-05-9, 1-Decene, >98% (tested individually)

Method Non-standard
Test Type in-vivo
GLP No data
Year No data

Method: Animals were exposed via inhalation to individual hydrocarbons


in 6 separate experiments with equal design except for the
choice of test substance. Animals were killed by decapitation,
and blood and organ samples were obtained within 3 minutes
after removal of an animal from the chamber. Food and water
were available ad libitum except during exposure. Dynamic
exposure of the animals was performed in 0.7 m3 steel
chambers. Temperature and humidity were kept within 23±1°C and
70±20% RH, respectively. The aimed concentration of 100 ppm
was maintained by mixing a controlled stream of air saturated
with the test substance under a constant temperature and flow
with the main stream of dust filtered air (5 m3/hr) before
entering at the top of the chamber. The concentration of
hydrocarbons in the chambers was monitored by on-line gas
chromatography at 15 minute intervals. The concentration of
hydrocarbons in tissues was determined by headspace gas
chromatography. Two ml of blood or organ homogenate (or 0.25 g
perirenal fat tissue) was equilibrated in 15 ml headspace
vials for 1 hr at 37 or 60 °C together with calibration
samples and blanks. 0.5 ml was taken from the headspace by
prewarmed gas tight syringe and injected into a Shimadzu GC 9A
gas chromatograph (FID). Separation was performed on a 2 m x
1/8” stainless steel column packed with GP 10% SP-2100 on
Supelcoport 100/120 mesh with nitrogen as carrier gas. In
blood, the calibration curves covered a range from 0.5 – 100
µmol/kg, in organs from 1 – 500 µmol/kg and in fat from 5 –
10000 µmol/kg. In blood and organs, the detection limits
generally were within the range from 0.1 to 1 µmol/kg; in fat
from 1 to 10 µmol/kg.

Test Conditions:

Species: Rat

Strain: Sprague-Dawley

Sex: Male

Age: No data

Bodyweight: 150 – 200 g at start of each experiment

Number of Animals: 4 per exposure

Route: Inhalation

Dose(s) used: 100 ppm for 3 days, 12 hr/day

Statistical Methods: None reported

398 UNEP PUBLICATIONS


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005
Actual Dose(s): For the 3 days exposure period, the mean chamber concentration
was 99.3 ppm

Body Fluids Sampled: Blood sampled at days 1, 2, and 3, immediately after


exposure and 12 hr after exposure on day 3

Tissues Sampled: Brain, liver, kidney, fat; sampled at days 1, 2, and 3,


immediately after exposure and 12 hr after exposure on day 3

Results: No systematic increase or decrease in biological


concentrations was observed during the exposure period except
for fat. With the exception for the kidney, the concentration
increased with increasing number of carbon atoms within each
structure group. The organ concentrations generally exceeded
blood by factors ranging from 3 to 10.The C9 and C10 1-alkenes
showed an increased accumulation in fat during the 3 days
exposure period, in contrast to the C8 1-alkene, where a
saturation seemed to occur. In fat, the concentrations of all
hydrocarbons were 4-20 times the concentrations found in other
organs. The 1-alkenes demonstrated high concentrations in fat
12 hr after exposure. After the recovery period, these
concentrations were 31, 46, and 66% for C8, C9 and C10 1-
alkenes, respectively, of the concentrations on day 3.

Concentrations of individual 1-alkenes after the third daily


12 hr exposure to 100 ppm and after 12 hr recovery (n=4)
1-Octene 1-Nonene 1-Decene
After After 12 After After 12 After After 12
third hr third hr third hr
exposure recovery exposure recovery exposure recovery
Blood 12.4 0.1 15.9 0.4 16.4 0.7
Brain 69.7 0.5 116.3 2.7 138.1 6.3
Liver 78.9 nd 130.4 1.1 192.8 4.0
Kidney 139.3 0.9 146.7 4.6 162.0 9.3
Fat 720 226 2068 953 2986 1971
a
All concentrations are in µmol/kg; nd = not detectable (limit of
detection varied between substances and organs: in blood and
organs generally within range from 0.1 – 1 µmol/kg; in fat from
5 – 10 µmol/kg)

Reliability: (1) Reliable without restrictions.

Reference: Zahlsen, K., I. Eide, A.M. Nilsen and O.G. Nilsen (1993)
Inhalation kinetics of C8-C10 1-alkenes and iso-alkanes in
the rat after repeated exposures. Pharmacology & Toxicology
73:163-168.

5.2 Acute Toxicity

A. Acute oral toxicity

(1) Test Substance: C10-13 Internal Olefins (Shop Olefins 103 PQ11),
linear

UNEP PUBLICATIONS 399


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 =
37-47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method

Method/guideline: NA
Type (test type): LD50
GLP: Pre-GLP
Year: 1977
Species/Strain: Rat/Wistar
Sex: Males and females
No. of animals per
sex per dose: 4
Vehicle: none
Route of
administration: Oral gavage

Test Conditions: Male and female rats, aged approximately 12 weeks,


were used at each dose level (5 and 10 ml/kg).
The animals were weighed, fasted overnight and the
calculated dose of material administered by
intraesophagael intubation using a ball point
needle fitted to a syringe. After dosing food and
water were freely available throughout a 9 day
observation period.

Results:

Value: LD50 > 7740 mg/kg


Number of deaths
at each dose level: 1 at 10 ml/kg

Remarks: Animals showed no signs of toxic reaction during


the 9 day observation period. One female rat died
following a period of not eating and drinking and
loss of body weight. Under the conditions of this
study, C10-13 Olefins have a low order of
toxicity.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint

References: Shell Toxicology Laboratory, Tunstall (1977)


Toxicology of alpha olefins: Acute toxicity, skin
and eye irritancy and skin sensitizing potential
of alpha olefin 103 PQ 11 (unpublished report).

Other: This study was included in the dossiers for 1-


decene and 1-dodecene at SIAM 11. Additional
information has been added.

(2) Test Substance

Identity (purity): CAS No. 872-05-9, 1-Decene

Method

400 UNEP PUBLICATIONS


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005
Method/guideline: No data
Type (test type): LD50
GLP: No
Year: 1973
Species/Strain: Rat /strain not mentioned
Sex: No data
No. of animals per
sex per dose: No data
Vehicle: NA
Route of
administration: Oral gavage

Test Conditions: Single treatment dose level of 10g/kg.

Results:

Value: LD50 > 10 g/kg


Number of deaths
at each dose level: None

Remarks: No signs of toxicity

Reliability: (2) Reliable with restrictions: Incomplete


reporting

Flag: Key study for SIDS endpoint

References: Ethyl Corporation (1990) Internal data


(unpublished report).

Other: This study was included in the dossier for 1-


decene at SIAM 11. Additional information has been
added.

B. ACUTE INHALATION TOXICITY

(1) Test Substance: C10-13 Internal Olefins (Shop Olefins 103),


linear

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 =
37-47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method

Method/guideline: 4-hr exposures in a dynamic exposure system.


Type (test type): LC50
GLP: No
Year: 1980
Species/Strain: Rat/Wistar
Sex: Males and females
No. of animals per
sex per dose: 5

Vehicle: None
Route of
administration: Inhalation (mist )

UNEP PUBLICATIONS 401


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005

Test Conditions: One group of 10 rats each (5 males and 5 females,


approximately 10 weeks of age) was exposed for 4
hrs to a saturated concentration of test substance
(> 2.1 mg/L, ~305 ppm). Animals were observed for
14 days post-exposure. Initial, 7 day and 14 day
body weights were recorded.

The animals were contained within 7 liter glass


chambers fitted with carriers to accommodate five
animals each, through which the test atmosphere
was passed at a minimal rate of 10 liters/minute.

The test atmosphere was generated by flash


vaporization of the test substance supplied to a
heated flask by means of a micro metering pump.
The vapor was blended with dilution air in a
mixing flask, and the vapor/air mixture was passed
through an air cooled condenser and a condensation
trap to the inhalation chambers. Continuous
analysis of the atmosphere during exposure was
undertaken using a heated total hydrocarbon
analyzer.

Results:

Value: LC50 >2.1 mg/L (~305 ppm) (saturated


concentration) mist.
Number of deaths
at each dose level: None

Remarks: Some rats lachrymated and salivated during


exposure, but no other toxic signs were observed
during the 14 day observation period.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Blair, D., Sedgewick, A.E. (1980) The acute


inhalation toxicity of Olefins 103 PQ 11.
Sittingbourne, Shell Research Limited,
TLGR.80.052 (unpublished report).

Other: This study was included in the dossiers for 1-


decene and 1-dodecene at SIAM 11. Additional
information has been added.

(2) Test Substance: CAS No. 872-05-9, 1-Decene

Method

Method/guideline: 1 and 4-hr exposures


Type (test type): LC50
GLP: No
Year:
Species/Strain: Rat/Sprague Dawley
Sex: No data
No. of animals per
sex per dose: No data

402 UNEP PUBLICATIONS


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005

Vehicle: None
Route of
administration: Inhalation

Test Conditions: Exposures at saturation of 9.3 and 8.7 mg/L (g/m3)


(1621and 1516 ppm); 14 observation period

Results:

Value: LC50 > saturation concentration


Number of deaths
at each dose level: None

Remarks: No visible pathological changes seen after 14


days.

Reliability: (2) Reliable with restrictions: Incomplete


reporting

Flag: Key study for SIDS endpoint

References: Ethyl Corporation (1990) Internal data


(unpublished report).

Other: This study was included in the dossiers for 1-


decene at SIAM 11.

C. Acute dermal toxicity

(1) Test Substance: C10-13 Internal Olefins (Shop Olefins 103 PQ 11),
linear

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 =
37-47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method

Method/guideline: Noakes and Sanderson


Type (test type): LD50
GLP: Pre-GLP
Year: 1977
Species/Strain: Rat/ Wistar
Sex: Males and females
No. of animals
per sex per dose: 4

Vehicle: NA
Route of
administration: Dermal

Test Conditions: Groups of animals, aged 12-13 weeks, were exposed


to the test substance in single exposures to
concentrations of 1, 2, and 4 ml/kg. Undiluted
test material was applied to shorn dorso-lumbar
skin and bandaged into contact with the skin using
an impermeable dressing of aluminium foil and
water proof plaster. Following the 24-hour
exposure period, the dressings were removed and

UNEP PUBLICATIONS 403


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005
the exposed area was sponged with tepid dilute
detergent solution to remove residue. Animals
were observed for gross signs of toxicity daily
for 9 days.

Results:

Value: LD50 > 3080 mg/kg


Number of deaths
at each dose level: 4 mortalities occurred in the female rats at
dose level 4 ml/kg; one each at day 6 and day 8, 2
at day 7.

Remarks: Rats showed no signs of toxic reactions, but those


that eventually died did not eat or drink and lost
body weight. On the basis of these figures, the
acute percutaneous LD50 was estimated to be
greater than 4 ml/kg (3080 mg/kg) in males and
between 2 and 4 ml/kg (between 1540 and 3080
mg/kg) in females.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Shell Toxicology Laboratory, Tunstall (1977)


Toxicology of alpha olefins: Acute toxicity, skin
and eye irritancy and skin sensitizing potential
of alpha olefin 103 PQ 11 (unpublished report).

(2) Test Substance

Identity (purity): CAS No. 872-05-9, 1-Decene

Method

Method/guideline: U.S. Federal Hazardous Substances Labeling Act


Type (test type): LD50
GLP: Pre-GLP
Year: 1967
Species/Strain: Albino rabbits
Sex: Males
No. of animals
per sex per dose: 4

Vehicle: NA
Route of
administration: Dermal

Test Conditions: Two groups of 4 rabbits (weighing between 2.3 and


3.0 kg) were used (treated and control). Prior to
dosing, the animals were clipped free of hair over
the entire trunk area. The skin of two animals
from each group was abraded by making longitudinal
epidermal abrasions spaced about 2-3 cm apart over
the area to be exposed. Surgical gauze was wrapped
around the animal and covered with an impervious
plastic film. The animals in the treated group
then received a dose of 10 g/kg test substance
introduced under the plastic film. Following

404 UNEP PUBLICATIONS


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005
dosing, the animals were immobilized in stocks for
24 hr, after which the covering and excess
material were removed and the skin examined for
gross changes. Animals were weighed on Days 1-4,
and on Days 7 and 14. Animals were observed for
14 days and then sacrificed and autopsied.

Results:

Value: LD50 > 10 g/kg


Number of deaths
at each dose level: No mortalities that were related to exposure
to test substance. One control animal died from
pneumonia on Day 2.

Remarks: There were no signs suggestive of systemic


toxicity. The skins of animals became very taut,
dry and scaly, with no regrowth of hair in the
clipped areas and a loss of hair from areas which
became wet with the test substance. Autopsy showed
no gross signs of damage to internal organs.
Slight signs of pneumonia were observed in both
treated and control animals. All treated animals
showed weight loss on Days 1-7:

% Weight Loss
Day Day Day Day Day Day
1 2 3 4 7 14
1- -4 -10 -10 -9 -6 +1
Decene
Control 0 +2 +2 +3 +1 +4

Reliability: (2) Reliable with restrictions: Details of


procedures are not available, individual animal
data is not available, and animals appeared to
have pneumonia.

Flag: Key study for SIDS endpoint

Reference: Rinehart, W.E. (1967) Toxicological Studies on


Several Alpha Olefins, for Gulf Research and
Development Company (unpublished report).

Other: This study was included in the dossier for 1-


decene at SIAM 11. Additional information has been
added.

D. Acute toxicity, other routes

No data available

5.3 Corrosiveness/Irritation

A. Skin Irritation/Corrosion

(1) Test Substance: CAS No. 872-05-9, 1-Decene, 100%, NEODENE® 10


Alpha
Olefin

UNEP PUBLICATIONS 405


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005

Method: TSCA Health Effects Test Guidelines, 40 CFR


798.4470, meeting OECD Guidelines, Section 404

Test Type: in vivo


GLP: Yes
Year: 1995

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Male and female
Number of animals
per sex per dose: 3
Total dose: 0.5 ml
Vehicle: None
Exposure time period: 4 hrs
Grading scale: Draize

Method Remarks: A 0.5 ml quantity of undiluted test material was


applied onto a 1 inch by 1 inch gauze square. The
test material was applied in this manner to the
shaved dorsal skin at one intact site on each of
six rabbits and occluded with rubber dental dam
throughout the 4 hour exposure period. Severe
irritation persisted 72 hours following
application. All six animals were held for a Day
7 reading. The values for each rabbit were
totaled and averaged for erythema and eschar
formation at ½ to 1 hour, 24 hours, 48 hours, and
72 hours. The values for edema were evaluated at ½
to 1 hour, 24, 48, and 72 hours.

Results: There were no deaths during the study. By day 7


reading, all irritation had cleared in two animals,
while the remaining four animals exhibited slight
to severe irritation. The only change noted in the
coloration and/or texture of the skin was
desquamation. No evidence of corrosion (necrosis)
was found. The Draize Primary Dermal Irritation
Index (the mean of combined scores for erythema and
edema at 1 hour, 24 hour, 48 hour and 72 hour) was
calculated to be 5.3.
Reliability: (1) Reliable without restrictions

Reference: Hilltop Biolabs, Inc. (1992) Primary Skin


Irritation Study in Rabbits; Performed for Shell
Oil Company (unpublished report).

(2) Test Substance: CAS No. 872-05-9, 1-Decene (GULFTENE 10)

pH: Not applicable

Method: OECD 404

Test Type: in vivo


GLP: Yes
Year: 1995

406 UNEP PUBLICATIONS


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Male and female
Number of animals
per sex per dose: 5 males and 1 female

Total dose: 0.5 ml


Vehicle: None
Exposure time period: 4 hrs
Grading scale: Draize

Method Remarks: At the start of the study, the animals weighed


2.37 to 2.76 kg and were approximately 12 to 20
weeks old. One-half ml undiluted material was
applied to the unabraded skin on the shaved backs
of 6 rabbits, under a semi-occluded dressing
(cotton gauze patch placed in position with a strip
of porous tape; trunk wrapped in an elasticated
corset [TUBIGRIP]). A contralateral area of
untreated skin was identified to serve as the
control against which the reactions of the treated
site were evaluated. Four hours after application,
the corset and patches were removed and residual
test material was removed by swabbing with cotton
wool soaked in 74% Industrial Methylated Spirits.
The control sites were similarly swabbed. Scores
were made for erythema and edema at 0.5, 24, 48, 72
and 96 hr after removal of patches, and at 7 and 14
days after initiation of exposure.

Results: All animals gained weight during the study.


Exposure produced well-defined erythema and very
slight to moderate oedema that cleared by Day 14.
Other dermal reactions noted were desquamation and
crust formation which persisted to Day 14, but were
considered to be reversible effects.

The Draize primary irritation index was 3.67. The


mean 24-72 hr scores for erythema and edema were
2.0 and 1.7, respectively.

Reliability: (1) Reliable without restrictions

Reference: Driscoll, R. (1996) Acute dermal irritation test


in the rabbit with GULFTENE 10, Report 703/077.
Conducted by Safepharm Laboratories Ltd. for
Chevron Research and Technology Company
(unpublished report).

Other: This study was included in the dossier for


1-decene at SIAM 11. Additional information has
been added.

B. Eye Irritation/Corrosion

UNEP PUBLICATIONS 407


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005
(1) Test Substance: C10-13 Internal Olefins (Shop Olefins 103 PQ 11),
linear

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 =
37-47%); CAS No. 25377-82-6 (C13 = 8-17%)

pH: Not applicable

Method:

Test Type: in vivo


GLP: No
Year: 1977

Test Conditions

Species: Albino rabbits


Strain: New Zealand White
Number of animals
per dose: 4

Dose(s) used: 0.2 ml


Vehicle: None
Observation period: 7 days

Remarks: The conjuctival redness chemosis and discharge,


corneal opacity and damage to the iris following
the instillation of 0.2 ml undiluted olefin into
the conjuctival sac of four rabbit eyes was scored
using standard Draize scales.

Results: Animals were observed within 1-2 hours, after 1,


2, 3, and 7 days of application. Mean Draize
score was 1.0 (out of 110) at 1 hour after
exposure, 0.9 for day 1, 0.1 for day 2, and 0 at
other points.

Reliability: (1) Reliable without restrictions

Reference: Cassidy, S.L., Clark, D.G. (1977) Toxicology of


alpha olefins: Acute toxicity, skin and eye
irritancy and skin sensitizing potential of alpha
olefin 103 PQ 11. Sittingbourne, Shell Research
Limited, TLGR.0.171.77 (unpublished report).

Other: This study was included in the dossier for 1-


decene at SIAM 11. Additional information has been
added.

(2) Test Substance: CAS No. 872-05-9, 1-Decene

pH: Not applicable

Method: equivalent to OECD 405

Test Type: in vivo


GLP: No
Year: 1967

408 UNEP PUBLICATIONS


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005
Test Conditions

Species: Albino rabbits


Strain: Not specified
Cell type:
Sex: Males
Number of animals
per dose: 6

Dose(s) used: 0.1 ml


Vehicle: None
Observation period: 72 hrs
Scoring method used: Draize scoring at 24, 48, and 72 hours after
treatment

Remarks: A positive control group were exposed to 5% Ivory


Soap solution

Results: Draize score at 24 hours was 0.7/110; 0.3 at


48 hours and 0.0 at 72 hours. Maximum
individual score = 2/110 at 24 and 48 hours. The
mean 24-72 hr scores for corneal opacity, iritis,
conjunctival redness, and conjunctival chemosis,
respectively, were 0, 0, 0.2, and 0.

Reliability: (1) Reliable without restrictions

Reference: Rinehart, W.E. (1967) Toxicological Studies of


Several Alpha Olefins Conducted by Department
of Occupational Medicine, University of
Pittsburgh, Pittsburgh, Pennsylvania, for Gulf
Research and Development Company (unpublished
report).

Other: This study was included in the dossier for


1-decene at SIAM 11. Additional information has
been added.

(3) Test Substance: CAS No. 872-05-9, 1-Decene

pH: Not applicable

Method: No data
Test Type: in vivo
GLP: No
Year: 1973

Test Conditions

Species: Rabbit
Strain: New Zealand White
Number of animals
per dose: No data

Dose(s) used: No data


Vehicle: None
Observation period: 72 hrs

Results: Non-irritating.

UNEP PUBLICATIONS 409


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005

Remarks: All scores = 0 at 24 and 72 hrs

Reliability: (1) Reliable without restrictions

Reference: Ethyl Corporation (1990) internal data


(unpublished report).

Other: This study was included in the dossier for 1-


decene at SIAM 11.

5.4 Skin Sensitisation

Test Substance: C10-13 Internal Olefins (Shop Olefins 103 PQ 11), linear

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No. 28761-27-5
(C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-47%); CAS No.
25377-82-6 (C13 = 8-17%)

Method: Magnusson and Kligman


Test Type: challenge
GLP: No
Year: 1977

Test Conditions

Species: Guinea pig


Strain: P strain
Sex: Male and female
Number of animals
per sex per dose: 10 in test group; 5 each in control group

Route of
administration: Injection and Topical

Intradermal
Induction conc.: 0.05%
Induction vehicle: corn oil
Topical
Induction conc.: 1.5%
Induction vehicle: corn oil
Challenge conc.: 10%
Challenge vehicle: corn oil

Method remarks: A preliminary screen was carried out using groups of 2 male
and 2 female guinea pigs to determine the concentrations of
test material to be used for intradermal induction, topical
induction and topical challenge.

Induction was accomplished in 2 stages, intradermal injection


and a topical application. Two rows of 3 injections were
made: 2 of 0.1 ml Freund’s complete adjuvant (FCA), 2 of 0.1
ml test material in solvent (solvent), and 2 of 0.1 ml test
material in 50:50 FCA/solvent. The injection sites were just
within the boundary of a 4x4 cm shaved area.

One week after the intradermal injections the same area was
clipped. A 4x4 cm patch of Whatman No. 3 filter paper was
soaked in a solution of the test material, placed over the
injection sites of the experimental animals and covered by

410 UNEP PUBLICATIONS


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005
overlapping plastic adhesive tape (Blendaderm). This was
secured with elastic adhesive bandage (Poroplast). The
dressing was left in place for 48 hours.

The challenge procedure was carried out 2 weeks after topical


induction. Challenge was accomplished by topical application
of the challenge solution of the test material to the flank of
both test and control groups of animals. 3x3 cm area on the
flank was clipped and shaved. A 2.5x2.5 cm patch of Whatman
No. 3 filter paper was soaked in a solution of the test
material, placed over the injection sites of the experimental
animals and covered by overlapping plastic adhesive tape
(Blendaderm). This was secured with elastic adhesive bandage
(Poroplast). The dressing was left in place for 24 hours.
Examination of the challenge site was immediately, 24 and 48
hours after removal of the dressing.

Results: Negative for sensitization

Results Remarks: Number of animals with skin reaction at challenge: 0/10


Number of animals with skin reaction in control group at
challenge: 0/10.

Reliability: (1) Reliable without restrictions

Reference: Cassidy, S.L., Clark, D.G. (1977) Toxicology of alpha olefins:


Acute toxicity, skin and eye irritancy and skin sensitizing
potential of alpha olefin 103 PQ 11. Sittingbourne, Shell
Research Limited, TLGR.0.171.77 (unpublished report).

Other: This study was included in the dossiers for 1-decene and 1-
dodecene at SIAM 11. Additional information has been added.

5.5 Repeated Dose Toxicity

No data available

5.6 Genetic Toxicity in vitro

A. Gene Mutation

(1) Test Substance: C10-13 Internal Olefins (Shop Olefins 103),


linear

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 =
37-47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method

Method/guideline:
Type: in-vitro bacterial reverse mutation – Ames Assay
System of testing: bacterial
GLP: No
Year: 1983
Species/Strain: Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538, and Escherichia coli WP2 or WP2
uvrA

UNEP PUBLICATIONS 411


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005
Metabolic activation: With and without S9 fraction from induced
rat livers
Concentrations tested: 31.25, 62.5, 125, 250, 500, 1000, 2000 and
4000 µg/plate
Statistical Methods: The mean and SD of the colony counts from
cultures derived from each flask were computed by
standard methods.

Test Conditions: 20 µl volumes of solutions of Olefin 103 PQ/11 in


ethanol/Tween 80 (1.5625, 3.125. 6.25. 12.5, 50,
100 mg/ml) or 40 ul of 100 mg/ml were added to top
agar mix to give final solutions of 31.25, 62.5,
125, 250, 500, 1000, 2000 and 4000 µg/plate both
in the presence and in the absence of rat liver S9
fractions. The cultures were incubated at 37oC
for 48-72 hours before the revertant colonies were
counted. The activity of the S9 mix and the
sensitivities of the strains TA1538, TA98 and
TA100 were monitored by treating cultures with a
known positive control compound, benzo (a) pyrene,
with requires metabolic activation before it is
able to induce gene mutation. The sensitivity of
TA1537 was monitored by the indirect mutagen,
neutral red; the sensitivities of E. coli WP2 or
WP2 uvrA pkm 101 and TA1535 were monitored by
testing with the direct-acting mutagens, potassium
dichromate or sodium azide, respectively.

Results

Cytotoxic conc.: No cytotoxicity observed


Genotoxic effects: Negative with and without metabolic
activation

Remarks: The test material did not lead to an increase in


reverse mutation frequency in any strain. No
visible precipitation of the test compound was
observed in the top agar overlay. Microscopic
examination of the background lawn in the plate
incorporation assay showed no reduction in growth
in any of the strains tested. All positive and
negative controls responded in a manner consistent
with data from previous assays. The addition of
Olefin 103 PQ/11 at amount up to 4000 µg per plate
to agar layer cultures of Salmonella typhimurium
TA98, TA100, TA1535, TA1537, TA1538, and
Escherichia coli WP2 or WP2 uvrA did not lead to an
increase in the reverse gene mutation frequency in
any of the strains either in the presence or
absence of rat liver S9 fractions.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint.

References: Brooks, TM, Clare, MG, Wiggins, DE (1983) Toxicity


studies with detergents: Genotoxicity studies with
Olefin 103 PQ/11 (Cracked Urea Wax Olefin). Shell
Research Limited, SBGR.83.299 (unpublished
report).

412 UNEP PUBLICATIONS


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005

(2) Test Substance: CAS No. 872-05-9, 1-Decene (manufactured by


Schuchard)

Method

Method/guideline: OECD 471


Type: in-vitro bacterial reverse mutation – Ames Assay
System of testing: bacterial
GLP: Yes
Year:
Species/Strain: Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538 without S9 ; and TA98 and TA100
with S9
Metabolic activation: With and without S9 fraction as noted above
Concentrations tested: No data
Statistical Methods: No data

Test Conditions: No data

Results

Cytotoxic conc.: Toxicity seen in TA100 and TA1538 without S9


Genotoxic effects: Negative with and without metabolic
activation

Reliability: (2) Reliable with restrictions: Data were not


reviewed for quality, but were reviewed for SIAM
11

References: Burghardtova, K. , B. Horvathova and M. Valachova


(1984) Testing of some 1-alkenes by the method of
Ames. Biologia (Bratislava), vol. 39(11):1121-1125
(in Czech.) (unpublished report).

Other: This study was included in the dossier for


1-decene at SIAM 11.

B. Chromosomal Aberration

Test Substance: C10-13 Internal Olefins (Shop Olefins 103), linear

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method

Method/guideline:
Type: in-vitro rat liver cell chromosome aberration assay
System of testing: non-bacterial
GLP: No
Year: 1983
Type of cell used: Rat liver RL1 cells
Metabolic activation: No
Concentrations tested: up to 500 µg/ml
Statistical Methods:

Test Conditions: The range of concentrations of the test compound to be


used to assess the cloning efficiency was determined

UNEP PUBLICATIONS 413


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005
from the results of the initial assay. For each
concentration, including the solvent control, three 9 cm
diameter Petri dishes were used. Five hundred RL4 cells
were added to each dish and cells were incubated in 10
ml tissue culture medium at 37oC in a humidified
atmosphere containing 5% CO2. Twenty-four hours after
adding the cells, the medium was replaced with medium
containing the compound or solvent, which was replaced
with fresh medium after 24 hours exposure. Five days
later the cells were fixed and stained. Colonies
containing at least 50 cells were counted. The
concentration of the test compound that reduced the
number of colonies to an average of approximately 50% of
those on the dishes exposed to solvent only was used as
the highest concentration in the chromosome assay.

Results

Cytotoxic conc.: No cytotoxicity observed


Genotoxic effects: Negative

Remarks: There was no significant increase in the frequency of


chromatid gaps, chromatid breaks or total chromatid
aberrations in rat liver (RL4) cell cultures exposed to
Olefin 103 PQ/11 at concentrations up to 25 ug per ml.
All positive and negative controls responded in a manner
consistent with data from previous assays.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Dean, B.J. (1980) Toxicity studies with detergent


intermediates: In vitro genotoxicity studies with Shop
process components. Shell Research Limited, TLGR.80.074
(unpublished report).

5.7 Genetic Toxicity in vivo

No data available

5.8 Carcinogenicity

No data available

5.9 Reproductive Toxicity (including Fertility and Developmental Toxicity).

A. Fertility

No data available

B. Developmental Toxicity

No data available

5.10 Other Relevant Information

414 UNEP PUBLICATIONS


OECD SIDS DECENE
5. TOXICITY ID: 25339-53-1
DATE: 28.04.2005

Aspiration

Test Substance

Identity: C6-C18 even numbered alpha olefins

Method

Type: General toxicity – aspiration


Species: Rat
Strain: Wistar
Sex: Male
Route of
Administration: aspiration
Dose: 0.2 mL

Results: See Remarks

Remarks: C6-C18 alkenes (even carbon numbers, alpha olefins), source


and purity unspecified, were assessed for aspiration hazard in
an animal study using Wistar rats. Four or five males were
used per test article. Two-tenths mL of the test material was
placed in the mouths of rats that had been anesthetized to the
point of apnea in a covered wide mouth gallon jar containing
about 1 inch of wood shavings moistened with approximately 1
ounce of anhydrous diethyl ether. As the animals began to
breathe again, the nostrils were held until the test material
had been aspirated or the animal regained consciousness. All
alkenes tested except 1- hexene were aspirated into the lungs.
1-Hexene was difficult to dose because of its volatility. Two
animals survived because the hydrocarbon “boiled” out of the
mouth before it was aspirated. All animals exposed to C8 to C14
died within 24 hours. With C16 and C18, there was only one
death (C18). Lung weights were increased in alkenes-treated
animals compared with controls. The affected animals showed
chemical pneumonitis. The report concluded that there is a
significant aspiration hazard with C6 to C14 alkenes.

Reference: Gerarde, H.W. (1963) Toxicological Studies on Hydrocarbons.


Archives of Environmental Health 6:329-341.

Other: This study was included in the dossier for 1-decene at SIAM
11.

5.11 Experience with Human Exposure

No data available

UNEP PUBLICATIONS 415


OECD SIDS DECENE
6. REFERENCES ID: 25339-53-1
DATE: 28.04.2005
American Chemistry Council’s Higher Olefins Panel (2002).

American Petroleum Institute (1994) as cited in EPIWIN (2000b). Estimation


Program Interface for Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.

Blair, D., Sedgewick, A.E. (1980) The acute inhalation toxicity of Olefins 103
PQ 11. Sittingbourne, Shell Research Limited, TLGR.80.052 (unpublished
report).

Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J. Beaumann and N. Tirado


(1994) Group contribution method for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.

Brooks, TM, Clare, MG, Wiggins, DE (1983) Toxicity studies with detergents:
Genotoxicity studies with Olefin 103 PQ/11 (Cracked Urea Wax Olefin). Shell
Research Limited, SBGR.83.299 (unpublished report).

Burghardtova, K. , B. Horvathova and M. Valachova (1984) Testing of some 1-


alkenes by the method of Ames. Biologia (Bratislava), vol. 39(11):1121-1125 (in
Czech.) (unpublished report).

Cassidy, S.L., Clark, D.G. Toxicology of alpha olefins: Acute toxicity, skin
and eye irritancy and skin sensitizing potential of alpha olefin 103 PQ 11.
Sittingbourne, Shell Research Limited, TLGR.0.171.77 (unpublished report).

Daubert, T.E. and R.P. Danner (1989) Physical and Thermodynamic Properties of
Pure Chemicals: Data Compilation; Design Institute for Physical Property Data,
American Institute of Chemical Engineers. Hemisphere Pub. Corp., New York, NY ;
EPIWIN (2000a) Estimation Program Interface for Windows, version 3.10. Syracuse
Research Corporation, Syracuse, NY. USA.

Dean, B.J. (1980) Toxicity studies with detergent intermediates: In vitro


genotoxicity studies with Shop process components. Shell Research Limited,
TLGR.80.074 (unpublished report).

Driscoll, R. (1996) Acute dermal irritation test in the rabbit with GULFTENE 10,
Report 703/077. Conducted by Safepharm Laboratories Ltd. for Chevron Research
and Technology Company (unpublished report).

Enichem Augusta Ind. Technical Bulletin

Enichem Instituto G Donegani (1995) Final report on ready biodegradability


(manometric-respirometric) of olefin C10 (unpublished report).

EPIWIN (2000a) Estimation Program Interface for Windows, version 3.10.


Syracuse Research Corporation, Syracuse, NY. USA.

EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

Ethyl Corporation (1990) Internal data (unpublished report).

Exxon Biomedical Sciences, Inc. (1996) Fish, Acute Toxicity Test. Study
#119258. Exxon Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished
report).

Exxon Biomedical Sciences, Inc. (1997) Ready Biodegradability: OECD 301F


Manometric Respirometry. Study #119294A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).

416 UNEP PUBLICATIONS


OECD SIDS DECENE
6. REFERENCES ID: 25339-53-1
DATE: 28.04.2005
ExxonMobil Biomedical Sciences, Inc. (2004). Daphnia magna Reproduction Test
with 1-DECENE. Study # 180446. Performed at ExxonMobil Biomedical Sciences, Inc.
Annandale, NJ, for the American Chemistry Council.

Gerarde, H.W. (1963) Toxicological Studies on Hydrocarbons. Archives of


Environmental Health 6:329-341.

Gould, E.S. (1959) Mechanism and Structure in Organic Chemistry, Holt, Reinhart
and Winston, New York, NY, USA.

Hansch C., Leo A. (1979) Substituent constants for correlation in analysis in


chemistry and biology, Wiley New York

Harris J C (1982a). Rate of Aqueous Photolysis. Chapter 8 in: W. J. Lyman, W. F.


Reehl, and D. H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, USA

Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in: W.J. Lyman, W.F. Reehl,
and D.H. Rosenblatt, eds., Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.

Hilltop Biolabs, Inc. (1992) Primary Skin Irritation Study in Rabbits; Performed
for Shell Oil Company (unpublished report).

Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M. Meylan, A.E. Hueber, J.A.
Beauman and M.E. Larosche (1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem.
11:593-603.

Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using


Multivariate Statistical Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E. Poling, Eds.

Kertes, A.S. (1989) Selective transport of hydrocarbons in the unsaturated zone


due to aqueous and vapor phase partitioning . Water Resources Research 23, 1926-
38; EPIWIN. 2000. Estimation Program Interface for Windows, version 3.10.
Syracuse Research Corporation, Syracuse, NY. USA.

Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry and Physics. 79th ed.
Boca Raton, FL: CRC Press Inc., p. 3-181.

Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds. (1990) Handbook of Chemical
Property Estimation. Chapter 14. Washington, D.C.: American Chemical Society.

Lyman, WJ, et al, chemical Property Estimation Methods, McGraw-Hill Book


Company, New York, 1982, Chapter 15.

MacKay, D., Multimedia Environmental Models: The Fugacity Approach. Lewis


Publishers Inc. Chelsea Michigan USA, 1991.

Meylan, W. and P. Howard (1995) Atom/fragment contribution method for estimating


octanol-water partition coefficients. J. Pharm. Sci. 84:83-92.

Meylan, W., P. Howard and R. Boethling (1996) Improved method for estimating
water solubility from octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.

Meylan, W., P.H. Howard and R.S. Boethling (1992) Molecular topology/fragment
contribution method for predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7.

Meylan, W.M. and Howard, P.H. 1993. Computer estimation of the atmospheric
gas-phase reaction rate of organic compounds with hydroxyl radicals and ozone.
Chemosphere 26: 2293-99

UNEP PUBLICATIONS 417


OECD SIDS DECENE
6. REFERENCES ID: 25339-53-1
DATE: 28.04.2005
Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved method for estimating
bioconcentration / bioaccumulation factor from octanol/water partition
coefficient. Environ. Toxicol. Chem. 18(4): 664-672.

Miller RC, Watkinson RJ. (1984). Olefins 103 PQ 11: An Assessment of Ready
Biodegradability. Shell Research Limited, Sittingbourne Research Center
(unpublished report).

Neely and Blau (1985) Environmental Exposure from Chemicals, Volume 1, p. 31,
CRC Press.

Neely, W. B. 1985. Hydrolysis. In: W. B. Neely and G. E. Blau, eds.


Environmental Exposure from Chemicals. Vol I., pp. 157-173. CRC Press, Boca
Raton, FL, USA.

NLM (2003a). CCRIS (Chemical Carcinogenesis Research Info System). U.S. National
Library of Medicine, Specialized Information Services, National Institutes of
Health, Department of Health and Human Services. September 2003
(http://toxnet.nlm.nih.gov).

NLM (2003b). Household Products Database. U.S. National Library of Medicine,


Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September, 2003. (http://toxnet.nlm.nih.gov).

NLM (2003c). TRI (Toxic Release Inventory). U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September 2003 (http://toxnet.nlm.nih.gov).

Rinehart, W.E. (1967) Toxicological studies on several alpha olefins, for Gulf
Research and Development Company (unpublished report).

Shell Chemicals UK Ltd, Chester

Shell Research Limited (1984) Olefins 103 PQ 11: Acute toxicity to Salmo
gairdneri, Daphnia magna and Selenastrum capricornutum. Sittingbourne Research
Centre, SBGR.83.359 (unpublished report).

Shell Research Limited (1985) SHOP Olefins 103: Acute toxicity (Salmo gairdneri,
Daphnia magna and Selenastrum capricornutum) and n-octanol/water partition
coefficent. Sittingbourne Research Centre, SBGR.85.182 (unpublished report).

Shell Toxicology Laboratory, Tunstall (1977) Toxicology of alpha olefins: Acute


toxicity, skin and eye irritancy and skin sensitizing potential of alpha olefin
103 PQ 11 (unpublished report).

Stein, S. and R. Brown (1994) Estimation of normal boiling points from group
contributions (1994) J. Chem. Inf. Comput. Sci. 34: 581-587.

Swann, R.L., D.A. Laskowshi, P.J. McCall, K. Vander-Kuy and H.J. Dishburger
(1983) A rapid method for the estimation of the environmental parameters
octanol/water partition coefficient, soil sorption constant, water to air ratio
and water solubility. Residue Reviews 85:17-28.

Trent University (2004). Level I Fugacity-based Environmental Equilibrium


Partitioning Model (Version 3.00) and Level III Fugacity-based Multimedia
Environmental Model (Version 2.80.1. Environmental Modeling Centre, Trent
University, Peterborough, Ontario. (Available at http://www.trentu.ca/cemc)

Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and H. Loonen (2000)


Predicting ready biodegradability in the MITI Test. Environ. Toxicol. Chem.
(accepted for publication)

418 UNEP PUBLICATIONS


OECD SIDS DECENE
6. REFERENCES ID: 25339-53-1
DATE: 28.04.2005
Turner, S.J., Watkinson, R.J., (1985) Shop Olefins 103: An assessment of Ready
Biodegradability, Sittingbourne, Shell Research Limited, SBGR.85.106
(unpublished report).

Verschueren, K, Handbook of environmental data on organic chemicals, 2nd ed. P


448.

Warne, M. St. J. Connell, D.W., Hawker, D. W., and G. Schuurmann (1989)


Quantitative Structure-Activity Relationships for the Toxicity of Selected Shale
Oil Components to Mixed Marine Bacteria. Ecotoxicology and Environmental
Safety, 17: 133-148.

Zahlsen, K., I. Eide, A.M. Nilsen and O.G. Nilsen (1993) Inhalation kinetics of
C8-C10 1-alkenes and iso-alkanes in the rat after repeated exposures.
Pharmacology & Toxicology 73:163-168.

Zepp, R. G. and D. M. Cline (1977). Rates of Direct Photolysis in the Aqueous


Environment, Environ. Sci. Technol., 11:359-366.

UNEP PUBLICATIONS 419


OECD SIDS ALKENES, C10-13

SIDS DOSSIER
ON THE HPV CHEMICAL

ALKENES, C10-13

CAS No.: 85535-87-1

Contains Robust Summaries for the Following Substances:

CAS No. 85535-87-1, Alkenes C10-13


C10-13 Internal olefins (SHOP Olefins 103PQ11/Olefins 103 PQ11/SHOP Olefins 103)
CAS No. 25339-53-1, Decene
CAS No. 872-05-9, 1-Decene
CAS No. 68526-56-7; Alkenes, C9-11, C10 Rich
CAS No. 28761-27-5, Undecene (mixture of isomers)
CAS No. 25378-22-7, Dodecene
CAS No. 25377-82-6, Tridecene

Sponsor Country: USA

Date of submission to OECD: April 28, 2005

420 UNEP PUBLICATIONS


OECD SIDS ALKENES, C-10-13
1. GENERAL INFORMATION ID: 85535-87-1
DATE: 28.04.2005

Substance Information

A. CAS Number: 85535-87-1

B. Name (OECD): Alkenes, C10-13

C. Name (IUPAC):

D. CAS Descriptor: Alkenes, C10-13

E. EINECS Number: 287-479-1

F. Molecular Formula: UVCB, alkenes

Sponsor Country: United States of America

Lead Organisation:

Name of Lead Organisation: United States of America Environmental


Protection Agency
Contact person: Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
Address:
• Street: 1200 Pennsylvania Avenue, NW
• Postal code: 20460
• Town: Washington, D.C. 20460
• Country: United States of America
• Tel: (202) 564-7461

Name of Responder (Industry Consortium):

Name: American Chemistry Council (Higher Olefins Panel)


Contact: Mr. W. D. Anderson, Higher Olefins Panel Manager
Address:
• Street: 1300 Wilson Boulevard
• Postal code: 22209
• Town: Arlington, VA
• Country: United States of America
• Tel: (703)741-5616
• Fax: (703) 741-6091

Details on Chemical Category

This profile includes an evaluation of SIDS-level testing data, using a category


approach, with six individual internal olefins (C6 – C10 and C12), a C10 – 13
internal olefins blend and two linear alpha olefins (1-hexadecene and 1-
octadecene), all of which are monoolefins. The internal olefins are
predominantly linear, but may contain small amounts of branched materials. For
the purposes of the ICCA HPV Program, the category was defined as “Higher
Olefins.” The category designation was based on the belief that, within the C6
to C18 boundaries identified, internalizing the location of the carbon-carbon
double bond, increasing the length of the carbon chain, and/or changing the

UNEP PUBLICATIONS 421


OECD SIDS ALKENES, C-10-13
1. GENERAL INFORMATION ID: 85535-87-1
DATE: 28.04.2005
carbon skeleton’s structure from linear to branched does not change the toxicity
profile, or changes the profile in a consistent pattern from lower to higher
carbon numbers. This expectation is supported by a large amount of existing data
for alpha and internal olefins with carbon numbers ranging from C6 to C24. The
members of the category are:

Hexene CAS # 25264-93-1

Heptene CAS # 25339-56-4

Octene CAS # 25377-83-7

Nonene CAS # 27215-95-8

Decene CAS # 25339-53-1

Dodecene CAS # 25378-22-7

Alkenes, C10-C13 CAS# 85535-87-1

1-Hexadecene CAS # 629-73-2

1-Octadecene CAS # 112-88-9

1.1 General Substance Information

A. Type of Substance

Element [ ]; Inorganic [ ]; Natural substance [ ]; Organic [X ];


Organometallic [ ];
Petroleum product [ ]

B. Physical State (at 20°C and 1.013 hPa)

Gaseous [ ]; Liquid [X ]; Solid [ ]

C. Purity:

Remarks: Typical composition: Blend of CAS No. 25339-53-1 (C10 =


11.2%); CAS No. 28761-27-5 (C11 = 29.6%); CAS No. 25378-22-7
(C12 = 25.9%); CAS No. 25377-82-6 (C13 = 23.6%)

1.2 Impurities

Chemical Name: C9 and lower = 0.1%

Chemical Name: C14 and higher = 9.6%

Chemical Name: N paraffins = 4.2%

Chemical Name: Dienes = 4.6%

1.3 Additives

None

1.4 Synonyms

422 UNEP PUBLICATIONS


OECD SIDS ALKENES, C-10-13
1. GENERAL INFORMATION ID: 85535-87-1
DATE: 28.04.2005
Some synonyms are: C10-13 Alkenes; n-olefins C10-13; Internal Olefins, C10-
13

1.5 Quantity

Remarks: 5,000,000-10,000,000 tonnes; 1999 figures for UK

Reference: Shell Chemicals UK Ltd, Chester

Remarks: U.S. production volume for Alkenes, C10-13, was 10 – 50 million


pounds reported for 2002 by members of the American Chemistry
Council’s Higher Olefins Panel.

Reference: American Chemistry Council’s Higher Olefins Panel (2002).

1.6 Use Pattern

A. General Use Pattern

Type of Use: Category:

(a)Main Use in closed systems


Industrial Chemical industry
Use Intermediate

Remarks: Intermediate in the manufacture of


surfactant alcohol

(b) Main Non-dispersive use


Industrial Chemical industry – chemicals used in
synthesis
Use Intermediate

Remarks: Intermediate in the manufacture of


surfactant alcohol

B. Uses In Consumer Products

Chemical not present in consumer products as marketed.

1.7 Sources of Exposure

Remarks: This product is produced commercially in closed systems and is used


primarily as an intermediate in the production of other chemicals.
No non-intermediate applications have been identified. Any
occupational exposures that do occur are most likely by the
inhalation and dermal routes. It is a common practice to use
personal protective equipment. In the case of dermal exposures,
protective gloves would be worn due to the mildly irritating
properties of this class of chemicals (ACC Higher Olefins Panel).
Results from modelled data suggest that on-site waste treatment
processes are expected to remove this substance from aqueous waste
streams to the extent that it will not be readily detectable in
effluent discharge (EPIWIN, 2000b). This substance is not on the US
Toxic Release Inventory (TRI) list (NLM, 2003). This olefin will not
persist in the environment because it can be rapidly degraded
through biotic and abiotic processes.

UNEP PUBLICATIONS 423


OECD SIDS ALKENES, C-10-13
1. GENERAL INFORMATION ID: 85535-87-1
DATE: 28.04.2005

Reference: American Chemistry Council’s Higher Olefins Panel

1.8 Additional Information

A. Classification and Labelling

Classification

Type: as in Directive 67/548/EEC


Category of danger: Flammable, Harmful, Irritant, Dangerous to the
environment
R-phrases: (R10) Flammable
(R38) Irritating to skin
(R51/53) Toxic to aquatic organisms, may cause long-
term adverse
effects in the aquatic environment
(65) Harmful: may cause lung damage if swallowed

Labelling

Type: as in Directive 67/548/EEC


Specific limits: no
Symbols: Xn, N
R-phrases: (R10) Flammable
(R38) Irritating to skin
(R51/53) Toxic to aquatic organisms, may cause long-
term adverse
effects in the aquatic environment
(R65) Harmful: may cause lung damage if swallowed

S-phrases: (24) Avoid contact with skin


(29) Do not empty into drains
(33) Take precautionary measures against static
discharges
(S61) Avoid release to the environment. Refer to
special instructions/Safety data sheets
(S62) If swallowed, do not induce vomiting: seek medical
advice immediately and show this container or label

B. Occupational Exposure Limits

Exposure Limit Value

Type: None established


Value:

Short Term Exposure Limit Value

Value: None established

C. Options For Disposal

Remarks: Biotreater, burned for fuel

424 UNEP PUBLICATIONS


OECD SIDS ALKENES, C-10-13
1. GENERAL INFORMATION ID: 85535-87-1
DATE: 28.04.2005
D. Last Literature Search

Type of search: Internal and external


Date of search: October 2003
Remark: Medline
IUCLID
TSCATS
ChemIDplus
AQUIRE - ECOTOX

E. OTHER REMARKS

ADR
Class: 9
Packing Group: III
Hazard identification no. 90
UN Number: 3080
Danger label
(Primary risk) 9
Proper Shipping Name: Environmentally Hazardous Substance, Liquid,
N.O.S. (C10-C13 Olefins)

UNEP PUBLICATIONS 425


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005
2.1 Melting Point

A. Test Substance

Identity: CAS No. 85535-87-1, Alkenes, C10-13

Method: ASTM D97

GLP: Yes [ ] No[X ]


Year: 1978

Results:
Melting point
Value: -50 °C:

Decomposition: Yes [ ] No [X ] Ambiguous [ ]


Sublimation: Yes [ ] No [X ] Ambiguous [ ]

Reliability: (4) Not assignable. These data were not reviewed


for quality.

References: Enichem Augusta Industrials, Milan

B. Test Substance

Identity: CAS No. 85535-87-1, Alkenes, C10-13

Method: ASTM D97

GLP: Yes [ ] No[X ]


Year: 1978

Results:
Melting point
Value: -66 to -13°C:

Decomposition: Yes [ ] No [X ] Ambiguous [ ]


Sublimation: Yes [ ] No [X ] Ambiguous [ ]

Reliability: (2) Reliable with restrictions: Reliable source but


these data were not reviewed for quality.

References: Shell Chemicals UK Ltd., Chester

C. Test Substance

Identity: CAS No. 872-05-9, 1-Decene

Method No data
GLP: No data
Year: No data

Results:
Melting point

426 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005
Value: -66.3 °C

Decomposition: No data
Sublimation: No data

Reliability: (2) Reliable with restrictions. The result is


experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.

Flag: Key study for SIDS endpoint

References: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

D. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of the computer program EPIWIN version 3.10
GLP: Not applicable
Year: Not applicable

Test Conditions: Melting Point is calculated by the MPBPWIN subroutine,


which is based on the average results of the methods of
K. Joback, and Gold and Ogle, and chemical structure.
Joback's Method is described in Joback, (1982). The Gold
and Ogle Method simply uses the formula Tm = 0.5839Tb,
where Tm is the melting point in Kelvin and Tb is the
boiling point in Kelvin. Program used the structure for
1-decene.

Results

Melting point
value in °C: -45.48°C

Reliability: (2) Reliable with restrictions. The result is


calculated data based on chemical structure as modeled
by EPIWIN.

Flag: Key study for SIDS endpoint

References: Joback, K.G. 1982. A Unified Approach to Physical


Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.

EPIWIN (2000a). Estimation Program Interface for


Windows, version 3.10. Syracuse Research Corporation,
Syracuse, NY. USA.

UNEP PUBLICATIONS 427


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005
E. Test Substance

Identity: CAS No. 28761-27-5, Undecene (mixture of isomers)

Method No data
GLP: No data
Year: No data

Results: -77 °C

Decomposition: No data
Sublimation: No data

Reliability: (2) Reliable with restrictions. The result is


experimental data as cited in the EPIWIN database.
These data were not reviewed for quality.

Flag: Key study for SIDS endpoint

References: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

F. Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method/
guideline followed: No data
GLP: No data
Year: No data

Test Conditions: No data

Results

Melting point
value in °C: -35.2°C

Reliability: (2) Reliable with restrictions: The result is measured


data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

References: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

G. Test Substance

Identity: CAS No. 25377-82-6, Tridecene

Method/
guideline followed: Calculated value using MPBPWIN version 1.41, a
subroutine of the computer program EPIWIN version
3.11
GLP: Not applicable

428 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005
Year: Not applicable

Test Conditions: Melting Point is calculated by the MPBPWIN


subroutine, which is based on the average results of the
methods of K. Joback, and Gold and Ogle, and chemical
structure. Joback's Method is described in Joback,
(1982). The Gold and Ogle Method simply uses the formula
Tm = 0.5839Tb, where Tm is the melting point in Kelvin
and Tb is the boiling point in Kelvin. Program used the
structure for 1-tridecene.

Results
Melting point
value in °C: -10.9°C

Reliability: (2) Reliable with restrictions. The result is


calculated data based on chemical structure as modeled
by EPIWIN.

Flag: Key study for SIDS endpoint

References: Joback, K.G. 1982. A Unified Approach to Physical


Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.

EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

H. Test Substance

Identity: CAS No. 2437-56-1, 1-Tridecene

Method No data
GLP: No data
Year: No data

Results:
Melting point
value: -13 °C

Decomposition: No data
Sublimation: No data

Reliability: (2) Reliable with restrictions. The result is


experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.

Flag: Key study for SIDS endpoint

References: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

2.2 Boiling Point

UNEP PUBLICATIONS 429


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005

A. Test Substance

Identity: CAS No. 85535-87-1, Alkenes, C10-13

Method: ASTM D86

GLP: Yes [ ] No[X ]


Year: 1982

Results:

Boiling point value: 183-236°C


Pressure: 1013.25 hPa

Decomposition: Yes [ ] No [X ] Ambiguous [ ]

Reliability: (4) Not assignable. These data were not reviewed


for quality.

References: Enichem Augusta Industrials, Milan

B. Test Substance

Identity: CAS No. 85535-87-1, Alkenes, C10-13

Method: ASTM D86

GLP: Yes [ ] No[X ]


Year: 1982

Results:

Boiling point value: 170-233°C


Pressure: 1013.25 hPa

Decomposition: Yes [ ] No [X ] Ambiguous [ ]

Reliability: (2) Reliable with restrictions: Reliable source but


these data were not reviewed for quality.

References: Shell Chemicals UK Ltd, Chester

C. Test Substance

Identity: CAS No. 25339-53-1, Decene


Method

Method: No data
GLP: No data
Year: No data

430 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005
Results

Boiling point value: 170°C


Pressure: 1013 hPa

Decomposition: No data

Reliability: (2) Reliable with restrictions. The result is


experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.

Flag: Key study for SIDS endpoint.

References: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

D. Test Substance

Identity: CAS No. 28761-27-5, Undecene (mixture of isomers)


Method

Method: No data
GLP: No data
Year: No data

Results

Boiling point value: 194°C


Pressure: 1013 hPa
Decomposition: No data
Reliability: (2) Reliable with restrictions. The result is
experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.

Flag: Key study for SIDS endpoint.

References: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

E. Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method/
guideline followed: No data
GLP: No data
Year: No data

Test Conditions: No data

UNEP PUBLICATIONS 431


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005
Results

Boiling point
value in °C: 213.8°C
Pressure: 1013
Pressure unit: hPa

Reliability: (2) Reliable with restrictions. The result is measured


data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

References: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

F. Test Substance

Identity: CAS No. 25377-82-6, Tridecene

Method

Method/
guideline followed: Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.11
GLP: Not applicable
Year: Not applicable

Test Conditions: Boiling Point is calculated by the MPBPWIN subroutine,


which is based on the method of Stein and Brown (1994).
Program used the structure for 1-tridecene.
Results

Boiling point
value in °C: 224°C
Pressure: 1013
Pressure unit: hPa

Reliability: (2) Reliable with restrictions. The result is


calculated data based on chemical structure as modeled
by EPIWIN.

Flag: Key study for SIDS endpoint


References: Stein, S. and R. Brown (1994) Estimation of normal
boiling points from group contributions (1994) J. Chem.
Inf. Comput. Sci. 34: 581-587.
EPIWIN (2000b). Estimation Program Interface for
Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

G. Test Substance

Identity: CAS No. 2437-56-1, 1-Tridecene

Method

432 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005

Method/
guideline followed: No data
GLP: No data
Year: No data

Test Conditions: No data

Results

Boiling point
value in °C: 233°C
Pressure: 1013
Pressure unit: hPa

Reliability: (2) Reliable with restrictions. The result is measured


data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

References: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

2.3 Density (Relative Density)

A. Test Substance

Identity: CAS No. 85535-87-1, Alkenes, C10-13

Method

Method: ISO 3675


GLP: Yes [ ] No [X ] ? [ ]

Results

Type: Bulk density [ ]; Density [x ]; Relative Density [ ]


Value: 740 kg/m3
Temperature: 20°C

Reliability: (4) Not assignable. These data were not reviewed for
quality.

Reference: Shell Chemicals UK Ltd, Chester as cited in IUCLID

B. Test Substance

Identity: CAS No. 85535-87-1, Alkenes, C10-13

Method

UNEP PUBLICATIONS 433


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005

Method: ISO 3675


GLP: Yes [ ] No [X ] ? [ ]

Results

Type: Bulk density [ ]; Density [x ]; Relative Density [ ]


Value: 750 kg/m3
Temperature: 20°C

Reliability: (2) Reliable with restrictions: Reliable source but


these data were not reviewed for quality.

Reference: Shell Chemicals UK Ltd, Chester

2.4 Vapour Pressure

A. Test Substance

Identity: C10-13 n-olefins

Method

Method: calculated by addition of the contributions (molar


percentage) of the homologues
GLP: Yes [ ] No [X ]
Year: 1989
Results

Vapour Pressure value: 0.66 hPa


Temperature: 20O C
Decomposition: Yes [] (temperature °C) No [x ] Ambiguous [ ]

Reliability: (2) Reliable with restrictions: The value is


calculated .

References: Enichem Augusta Industrials, Milan

B. Test Substance

Identity: CAS No. 872-05-9, 1-Decene

Method

Method/
guideline followed: No data
GLP: No data
Year: No data

Test Conditions: No data

Results

Vapor Pressure
Value: 2.23 hPa
Temperature: 25°C
Remarks: Reported as 1.67 mm Hg (25°C)

434 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005

Reliability: (2) Reliable with restrictions. The result is measured


data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

References: Daubert, T.E. and R.P. Danner (1989) Physical and


Thermodynamic Properties of Pure Chemicals: Data
Compilation; Design Institute for Physical Property
Data, American Institute of Chemical Engineers.
Hemisphere Pub. Corp., New York, NY ; EPIWIN (2000a)
Estimation Program Interface for Windows, version 3.10.
Syracuse Research Corporation, Syracuse, NY. USA.

C. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
v. 3.10, MPBPWIN v 1.40
GLP: Not applicable
Year: Not applicable

Test Conditions: Vapor Pressure is calculated by the MPBPWIN subroutine,


which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985. The calculation
used an experimental value for BP of 170 °C from EPIWIN
database.

Results

Vapor Pressure
value: 2.79 hPa
Temperature (°C ): 25°C
Remarks: Reported as 2.09 mm Hg

Reliability: (2) Reliable with restrictions. The result is


calculated data as modeled by EPIWIN using measured data
as cited in the EPIWIN database. These data were not
reviewed for quality.

Flag: Key study for SIDS endpoint

References: Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.


(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.

Neely and Blau (1985) Environmental Exposure from


Chemicals, Volume 1, p. 31, CRC Press.

UNEP PUBLICATIONS 435


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

D. Test Substance

Identity: CAS No. 28761-27-5, Undecene (mixture of isomers)

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
v. 3.11, MPBPWIN v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Vapor Pressure is calculated by the MPBPWIN subroutine,


which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985. The calculation
used an experimental value for BP of 194 °C from EPIWIN
database.

Results

Vapor Pressure
value: 0.9172 hPa
Temperature (°C ): 25°C
Remarks: Reported as 0.688 mm Hg

Reliability: (2) Reliable with restrictions. The result is


calculated data as modeled by EPIWIN using measured data
as cited in the EPIWIN database. These data were not
reviewed for quality.

Flag: Key study for SIDS endpoint

References: Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.


(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.

Neely and Blau (1985) Environmental Exposure from


Chemicals, Volume 1, p. 31, CRC Press.

EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

E. Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10

436 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005
GLP: Not applicable
Year:

Test Conditions: Vapor Pressure is calculated by the MPBPWIN subroutine,


which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985. The calculation used
an experimental value for BP of 213.8 °C from the EPIWIN
database.

Results

Vapor Pressure
Value: 0.356 hPa
Temperature: 25°C
Remarks: Reported as 0.267 mm Hg (25°C)

Reliability: (2) Reliable with restrictions. The result is


calculated data as modeled by EPIWIN.

Flag: Key study for SIDS endpoint

References: Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.


(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.

Neely and Blau (1985) Environmental Exposure from


Chemicals, Volume 1, p. 31, CRC Press.

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

F. Test Substance

Identity: CAS No. 112-41-4, 1-Dodecene

Method

Method/
guideline followed: No data
GLP: No data
Year: No data

Test Conditions: No data

Results
Vapor Pressure
Value: 0.212 hPa
Temperature: 25°C
Remarks: Reported as 0.159 mm Hg (25°C)

Reliability: (2) Reliable with restrictions. The result is


experimental data as cited in EPIWIN.

Flag: Key study for SIDS endpoint

UNEP PUBLICATIONS 437


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005
References: Daubert, T.E. and R.P. Danner (1989) Physical and
Thermodynamic Properties of Pure Chemicals: Data
Compilation; Design Institute for Physical Property
Data, American Institute of Chemical Engineers.
Hemisphere Pub. Corp., New York, NY; EPIWIN (2000a)
Estimation Program Interface for Windows, version 3.10.
Syracuse Research Corporation, Syracuse, NY. USA.

G. Test Substance

Identity: CAS No. 25377-82-6, Tridecene

Method

Method/
guideline followed: Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.11
GLP: Not applicable
Year:

Test Conditions: Vapor Pressure is calculated by the MPBPWIN subroutine,


which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985. The calculation used
an experimental value for BP of 232.8 °C from the EPIWIN
database.

Results

Vapor Pressure
Value: 0.13999 hPa
Temperature: 25°C
Remarks: Reported as 0.105 mm Hg (25°C)

Reliability: (2) Reliable with restrictions. The result is


calculated data as modeled by EPIWIN.

Flag: Key study for SIDS endpoint

References: Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.


(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.

Neely and Blau (1985) Environmental Exposure from


Chemicals, Volume 1, p. 31, CRC Press.

EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

H. Test Substance

Identity: CAS No. 2437-56-1, 1-Tridecene

Method

Method/
guideline followed: No data

438 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005
GLP: No data
Year: No data

Test Conditions: No data

Results
Vapor Pressure
Value: 0.0851 hPa
Temperature: 25°C
Remarks: Reported as 0.0638 mm Hg (25°C)

Reliability: (2) Reliable with restrictions. The result is


experimental data as cited in EPIWIN.

Flag: Key study for SIDS endpoint

References: Daubert, T.E. and R.P. Danner (1989) Physical and


Thermodynamic Properties of Pure Chemicals: Data
Compilation; Design Institute for Physical Property
Data, American Institute of Chemical Engineers.
Hemisphere Pub. Corp., New York, NY; EPIWIN (2000b).
Estimation Program Interface for Windows, version 3.11.
EPI Suite™ software, U.S. Environmental Protection
Agency, Office of Pollution Prevention and Toxics,
U.S.A.

2.5 Partition Coefficient (log10Kow)

A. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method: Calculated value using the computer program EPIWIN


version 3.10, KOWWIN v 1.66
GLP: Not applicable
Year: Not applicable

Test Conditions: Octanol / Water Partition Coefficient is calculated by


the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). Program used the structure for 1-decene.
Results

Log Kow: 5.12


Temperature (°C ): Not applicable

Reliability: (2) Reliable with restrictions. The result was


calculated based on chemical structure as modeled by
EIPWIN.

Flag: Key study for SIDS endpoint

UNEP PUBLICATIONS 439


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005
Reference: Meylan, W. and P. Howard (1995) Atom/fragment
contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.

EPIWIN (2000a). Estimation Program Interface for


Windows, version 3.10. Syracuse Research Corporation,
Syracuse, NY. USA.

B. Test Substance

Identity: CAS No. 28761-27-5, Undecene (mixture of isomers)

Method

Method: Calculated value using the computer program EPIWIN


version 3.11, KOWWIN v 1.67
GLP: Not applicable
Year: Not applicable

Test Conditions: Octanol / Water Partition Coefficient is calculated by


the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). Program used the structure for 5-undecene.
Results

Log Kow: 5.53


Temperature (°C ): Not applicable

Reliability: (2) Reliable with restrictions. The result was


calculated based on chemical structure as modeled by
EIPWIN.

Flag: Key study for SIDS endpoint

Reference: Meylan, W. and P. Howard (1995) Atom/fragment


contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.

EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

C. Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method: Calculated value using the computer program EPIWIN


version 3.10, subroutine KOWWIN v 1.66
GLP: Not applicable
Year: Not applicable

440 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005
Test Conditions: Octanol / Water Partition Coefficient is calculated by
the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). EPIWIN used structure for 1-dodecene.

Results

Log Kow: 6.10


Temperature (°C ): Not applicable

Reliability: (2) Reliable with restrictions. The result was


calculated based on chemical structure as modeled by
EIPWIN.

Flag: Key study for SIDS endpoint

Reference: Meylan, W. and P. Howard (1995) Atom/fragment


contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.

EPIWIN (2000a) Estimation Program Interface for Windows, version 3.10.


Syracuse Research Corporation, Syracuse, NY. USA.

D. Test Substance

Identity: CAS No. 25377-82-6, Tridecene

Method

Method: Calculated value using the computer program EPIWIN


version 3.11, KOWWIN v 1.67
GLP: Not applicable
Year: Not applicable

Test Conditions: Octanol / Water Partition Coefficient is calculated by


the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). Program used the structure for 1-tridecene.
Results

Log Kow: 6.59


Temperature (°C ): Not applicable

Reliability: (2) Reliable with restrictions. The result was


calculated based on chemical structure as modeled by
EIPWIN.

Flag: Key study for SIDS endpoint

Reference: Meylan, W. and P. Howard (1995) Atom/fragment


contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.

EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

UNEP PUBLICATIONS 441


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005

E. Test Substance

Identity: CAS No. 85535-87-1, Alkenes, C10-13

Method

Method: calculated fragment constants by Hansch and Leo


Year: 1979

Results

Log Pow: 5.4 - 7


Temperature: 20 OC

Reliability: (4) Not assignable. Results are calculated.

References: Hansch C. and A. Leo (1979) Substituent constants for


correlation analysis in chemistry and biology, Wiley,
New York.

Enichem Augusta Industrials, Milan, as cited in IUCLID

2.6.1 Water Solubility (including *Dissociation Constant).

A. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method/
guideline followed: Calculated value using the computer program
EPIWIN, WSKOW v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Water Solubility is calculated by the WSKOW subroutine,


which is based on a Kow correlation method described by
Meylan et al., 1996. The calculation used an
experimental Log Kow of 5.70 (for 1-decene).

Results

Value(mg/L) at
temperature ( °C): 0.3288. mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result was


calculated.

Flag: Key study for SIDS endpoint

References: Meylan, W., P. Howard and R. Boethling (1996) Improved


method for estimating water solubility from
octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.

442 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

B. Test Substance

Identity: CAS No. 28761-27-5, Undecene (mixture of isomers)

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
3.11, subroutine WSKOW v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Water Solubility is calculated by the WSKOW


subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996.
Estimated (EPIWIN) Log Kow value of 5.53 used for
calculation. EPIWIN used structure for 5-undecene
to calculate Log Kow.

Results

Value(mg/L) at
temperature ( °C): 0.4006 mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result is a


calculated value.

Flag: Key study for SIDS endpoint

References: Meylan, W., P. Howard and R. Boethling (1996)


Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.

EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

C. Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
3.11, subroutine WSKOW v 1.41
GLP: Not applicable
Year: Not applicable

UNEP PUBLICATIONS 443


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005
Test Conditions: Water Solubility is calculated by the WSKOW
subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996.
Estimated (EPIWIN) Log Kow value of 6.10 used for
calculation. EPIWIN used alpha structure to
calculate Log Kow. Measured melting point of -35.2
°C used.

Results

Value(mg/L) at
temperature ( °C): 0.1245 mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result is a


calculated value.

Flag: Key study for SIDS endpoint

References: Meylan, W., P. Howard and R. Boethling (1996)


Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.

EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

D. Test Substance

Identity: CAS No. 25377-82-6, Tridecene

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
3.11, subroutine WSKOW v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Water Solubility is calculated by the WSKOW


subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996.
Estimated (EPIWIN) Log Kow value of 6.59 used for
calculation. EPIWIN used alpha structure to
calculate Log Kow.

Results

Value(mg/L) at
temperature ( °C): 0.03674 mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result is a


calculated value.

Flag: Key study for SIDS endpoint

References: Meylan, W., P. Howard and R. Boethling (1996)


Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.

444 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
2. PHYSICO-CHEMICAL DATA ID: 85535-87-1
DATE: 28.04.2005

EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

2.6.2 Surface tension

No data available

2.7 Flash Point (Liquids)

A. Test Substance

Identity: CAS No. 85535-87-1, Alkenes, C10-13

Method

Method: ISO 2719


GLP: No data

Results

Value: 46°C
Type of test: Closed cup [ X]; Open cup [ ]; Other [ ]

Reliability: (2) Reliable with restrictions: Reliable source, but


these data were not reviewed for quality.

Reference: Shell Chemicals UK Ltd, Chester

2.8 Auto Flammability (Solids/Gases)

No data available

2.9 Flammability

No data available

2.10 Explosive Properties

No data available

2.11 Oxidising Properties

No data available

2.12 Oxidation-Reduction Potential

No data available

UNEP PUBLICATIONS 445


OECD SIDS ALKENES, C10-13
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 85535-87-1
DATE: 28.04.2005
3.1 Stability

A. Photodegradation

(1) Test Substance

Identity: CAS No. 85535-87-1; alkenes, C10-13

Method

Method/
guideline followed: Other: Technical discussion

Type: water
GLP: Not applicable
Year: Not applicable

Test Conditions: Not applicable

Results

Direct photolysis: In the environment, direct photolysis will


not significantly contribute to the degradation of
constituent chemicals in the Higher Olefins
Category.

Remarks: The direct photolysis of an organic molecule


occurs when it absorbs sufficient light energy to
result in a structural transformation (Harris,
1982a). The reaction process is initiated when
light energy in a specific wavelength range
elevates a molecule to an electronically excited
state. However, the excited state is competitive
with various deactivation processes that can
result in the return of the molecule to a non
excited state.

The absorption of light in the ultra violet (UV)-


visible range, 110-750 nm, can result in the
electronic excitation of an organic molecule.
Light in this range contains energy of the same
order of magnitude as covalent bond dissociation
energies (Harris, 1982a). Higher wavelengths (e.g.
infrared) result only in vibrational and
rotational transitions, which do not tend to
produce structural changes to a molecule.

The stratospheric ozone layer prevents UV light of


less than 290 nm from reaching the earth's
surface. Therefore, only light at wavelengths
between 290 and 750 nm can result in photochemical
transformations in the environment (Harris,
1982a). Although the absorption of UV light in the
290-750 nm range is necessary, it is not always
sufficient for a chemical to undergo photochemical
degradation. Energy may be re-emitted from an
excited molecule by mechanisms other than chemical
transformation, resulting in no change to the
parent molecule.

446 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 85535-87-1
DATE: 28.04.2005
A conservative approach to estimating a
photochemical degradation rate is to assume that
degradation will occur in proportion to the amount
of light wavelengths >290 nm absorbed by the
molecule (Zepp and Cline, 1977).

Olefins with one double bond, such as the


chemicals in the Higher Olefins category, do not
absorb appreciable light energy above 290 nm. The
absorption of UV light to cause cis-trans
isomerization about the double bond of an olefin
occurs only if it is in conjugation with an
aromatic ring (Harris, 1982a).

Products in the Higher Olefins Category do not


contain component molecules that will undergo
direct photolysis. Therefore, this fate process
will not contribute to a measurable degradative
removal of chemical components in this category
from the environment.

Reliability: Not applicable

References: Harris J C (1982a). Rate of Aqueous Photolysis.


Chapter 8 in: W. J. Lyman, W. F. Reehl, and D. H.
Rosenblatt, eds., Handbook of Chemical Property
Estimation Methods, McGraw-Hill Book Company, New
York, USA.

Zepp, R. G. and D. M. Cline (1977). Rates of


Direct Photolysis in the Aqueous Environment,
Environ. Sci. Technol., 11:359-366.

(2) Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method/
guideline followed: Calculated values using AOPWIN version 1.91,
a subroutine of the computer program EIPWIN
version 3.11 which uses a program described by
Meylan and Howard (1993). Program used the
structure for 1-decene.

Type: air
GLP: Not applicable
Year: Not applicable

Results

Indirect photolysis

Sensitiser (type): OH
Rate Constant: 35.83 E-12 cm3/molecule-sec
Degradation % after: 50% after 3.582 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3)

Sensitiser (type): Ozone

UNEP PUBLICATIONS 447


OECD SIDS ALKENES, C10-13
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 85535-87-1
DATE: 28.04.2005
Rate Constant: 1.2 E-17 cm3/molecule-sec
Degradation % after: 50% after 22.92 hrs (using avg. OH conc. of
7 E11 mol/cm3)35.8302

Reliability: (2) Reliable with restrictions. The value was


calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.

Flag: Critical study for SIDS endpoint

References: Meylan, W.M. and Howard, P.H. 1993. Computer


estimation of the atmospheric gas-phase reaction
rate of organic compounds with hydroxyl radicals
and ozone. Chemosphere 26: 2293-99

EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

(3) Test Substance

Identity: CAS No. 25377-82-6, Tridecene

Method

Method/
guideline followed: Calculated values using AOPWIN version 1.91,
a subroutine of the computer program EIPWIN
version 3.11 which uses a program described by
Meylan and Howard (1993). Program used the
structure for 1-tridecene.

Type: air
GLP: Not applicable
Year: Not applicable

Results

Indirect photolysis

Sensitiser (type): OH
Rate Constant: 40.0693 E-12 cm3/molecule-sec
Degradation % after: 50% after 3.2 hrs (using 12-hr day and avg.
OH conc. of 1.5 E6 OH/cm3)

Sensitiser (type): Ozone


Rate Constant: 1.2 E-17 cm3/molecule-sec
Degradation % after: 50% after 22.92 hrs (using avg. OH conc. of
7 E11 mol/cm3)35.8302

Reliability: (2) Reliable with restrictions. The value was


calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.

Flag: Critical study for SIDS endpoint

448 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 85535-87-1
DATE: 28.04.2005
References: Meylan, W.M. and Howard, P.H. 1993. Computer
estimation of the atmospheric gas-phase reaction
rate of organic compounds with hydroxyl radicals
and ozone. Chemosphere 26: 2293-99

EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

B. Stability in Water

Test Substance

Identity: CAS No. 85535-87-1; alkenes, C10-13

Method

Method/
guideline followed: Other – Technical Discussion
Type (test type):
GLP: Yes [ ] No[ ]
Year:

Test Conditions: Not applicable

Results: Not applicable

Remarks: Hydrolysis of an organic molecule occurs when a molecule


(R-X) reacts with water (H2O) to form a new carbon-
oxygen bond after the carbon-X bond is cleaved (Gould,
1959; Harris, 1982b). Mechanistically, this reaction is
referred to as a nucleophilic substitution reaction,
where X is the leaving group being replaced by the
incoming nucleophilic oxygen from the water molecule.

The leaving group, X, must be a molecule other than


carbon because for hydrolysis to occur, the R-X bond
cannot be a carbon-carbon bond. The carbon atom lacks
sufficient electronegativity to be a good leaving group
and carbon-carbon bonds are too stable (high bond
energy) to be cleaved by nucleophilic substitution.
Thus, hydrocarbons, including alkenes, are not subject
to hydrolysis (Harris, 1982b) and this fate process will
not contribute to the degradative loss of chemical
components in this category from the environment.

Under strongly acidic conditions the carbon-carbon


double bond found in alkenes, such as those in the
Higher Olefins Category, will react with water by an
addition reaction mechanism (Gould, 1959). The reaction
product is an alcohol. This reaction is not considered
to be hydrolysis because the carbon-carbon linkage is
not cleaved and because the reaction is freely
reversible (Harris, 1982b). Substances that have a
potential to hydrolyze include alkyl halides, amides,
carbamates, carboxylic acid esters and lactones,
epoxides, phosphate esters, and sulfonic acid esters
(Neely, 1985).

UNEP PUBLICATIONS 449


OECD SIDS ALKENES, C10-13
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 85535-87-1
DATE: 28.04.2005
The substances in the Higher Olefins Category are
primarily olefins that contain at least one double bond
(alkenes). The remaining chemicals are saturated
hydrocarbons (alkanes). These two groups of chemicals
contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic
mechanism discussed above. Therefore, chemicals in the
Higher Olefins Category have a very low potential to
hydrolyze, and this degradative process will not
contribute to their removal in the environment.

Conclusions: In the environment, hydrolysis will not contribute to


the degradation of Alkenes, C10-13.

Reliability: Not applicable

References: Gould, E.S. (1959) Mechanism and Structure in Organic


Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.

Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in:


W.J. Lyman, W.F. Reehl, and D.H. Rosenblatt, eds.,
Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.

Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G.


E. Blau, eds. Environmental Exposure from Chemicals. Vol
I., pp. 157-173. CRC Press, Boca Raton, FL, USA.

C. Stability In Soil

Data not available

3.2 Monitoring Data (Environment)

Data not available

3.3 Transport and Distribution

3.3.1 Transport between environmental compartments

A. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Type: Fugacity models, Mackay Levels I and III

Remarks: Trent University model used for calculations. Half-lives in


water, soil and sediment estimated using EPIWIN (EPIWIN,
2000b)

Chemical assumptions:

Molecular weight: 140


Water solubility: 0.329 g/m3

450 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 85535-87-1
DATE: 28.04.2005
Vapor pressure: 279 Pa (25°C)
Log Kow: 5.70
Melting point: -45.48°C

Half-life in air = 5.59 hr, half-life in water = 360 hr,


half-life in soil = 360 hr, half-life in sediment = 1440 hr
Environment name: EQC Standard Environment

All other parameters were default values. Emissions for Level


I = 1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).

Results Media: Air, soil, water and sediment concentrations were


estimated

Level I Level III


Air 98.1% 1.32%
Water <1% 19.3%
Soil 1.82% 36.3%
Sediment <1% 43.0%

Remarks: Since default assumptions for release estimates were used,


resulting environmental concentrations are not provided.

Conclusions: These results indicated that decene will partition


primarily to air under equilibrium conditions (Level I model),
but approximately equally to water, soil and sediment under
the assumed pattern of chemical release (equal loading of
water, soil and air) in the Level III model.

Reliability: (2) Valid with restrictions: Data are calculated.

Flag: Critical study for SIDS endpoint

References: Trent University (2004). Level I Fugacity-based Environmental


Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version 2.80.1.
Environmental Modeling Centre, Trent University, Peterborough,
Ontario. (Available at http://www.trentu.ca/cemc)

EPIWIN (2000b). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.

B. Test Substance

Identity: CAS No. 25377-82-6, Tridecene

Method

Type: Fugacity models, Mackay Levels I and III

Remarks: Trent University model used for calculations. Half-lives in


water, soil and sediment estimated using EPIWIN (EPIWIN,
2000b)

Chemical assumptions:

UNEP PUBLICATIONS 451


OECD SIDS ALKENES, C10-13
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 85535-87-1
DATE: 28.04.2005
Molecular weight: 182
Water solubility: 0.0367 g/m3
Vapor pressure: 14 Pa (25°C)
Log Kow: 6.59
Melting point: -10.9°C

Half-life in air = 5.01 hr, half-life in water = 360 hr,


half-life in soil = 360 hr, half-life in sediment = 1440 hr
Environment name: EQC Standard Environment

All other parameters were default values. Emissions for Level


I = 1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).

Results Media: Air, soil, water and sediment concentrations were


estimated

Level I Level III


Air 79.9% <1%
Water <1% 9.8%
Soil 19.6% 26.8%
Sediment <1% 63%

Remarks: Since default assumptions for release estimates were used,


resulting environmental concentrations are not provided.

Conclusions: These results indicated that tridecene will partition


primarily to air under equilibrium conditions (Level I model),
but primarily to soil and sediment under the assumed pattern
of chemical release (equal loading of water, soil and air) in
the Level III model.

Reliability: (2) Valid with restrictions: Data are calculated.

Flag: Critical study for SIDS endpoint

References: Trent University (2004). Level I Fugacity-based Environmental


Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version 2.80.1.
Environmental Modeling Centre, Trent University, Peterborough,
Ontario. (Available at http://www.trentu.ca/cemc)

EPIWIN (2000b). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.

C. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Type: Volatilization from water

Remarks: Calculated using the computer program EPIWIN version


3.10; based on Henry’s Law Constant of 2.68 atm-m3/mole
(HENRY experimental database).

452 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 85535-87-1
DATE: 28.04.2005
Results: Half-life from a model river: 1.209 hrs
Half-life from a model lake: 4.7 days

Reliability: (2) Valid with restrictions: Values are calculated

References: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

D. Test Substance

Identity: CAS No. 25377-82-6, Tridecene

Method

Type: Volatilization from water

Remarks: Calculated using the computer program EPIWIN version


3.11; based on
Henry’s Law Constant of 2.61 atm-m3/mole (estimated by
Bond SAR Method by EPIWIN).

Results: Half-life from a model river: 1.4 hrs


Half-life from a model lake: 5.3 days

Reliability: (2) Valid with restrictions: Values are calculated

References: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

3.3.2 Distribution

A. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method: Adsorption Coefficient (Koc) calculated value using the


computer program EPIWIN, PCKOC v 1.66 using the method
described by Meylan et al., 1992.

Test Conditions: Based on chemical structure. Program used the structure


for 1-decene.

Results

Value: Estimated Koc = 1724

Reliability: (2) Reliable with restrictions: Value is calculated.

Reference: Meylan, W., P.H. Howard and R.S. Boethling (1992)


Molecular topology/fragment contribution method for
predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7.

UNEP PUBLICATIONS 453


OECD SIDS ALKENES, C10-13
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 85535-87-1
DATE: 28.04.2005
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

B. Test Substance

Identity: CAS No. 25377-82-6, Tridecene

Method

Method: Adsorption Coefficient (Koc) calculated value using the


computer program EPIWIN, PCKOC v 1.66 using the method
described by Meylan et al., 1992.

Test Conditions: Based on chemical structure. Program used the structure


for 1-tridecene.

Results

Value: Estimated Koc = 10,800

Reliability: (2) Reliable with restrictions: Value is calculated.

Reference: Meylan, W., P.H. Howard and R.S. Boethling (1992)


Molecular topology/fragment contribution method for
predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7.

EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

C. Test Substance

Identity: CAS No. 85535-87-1, Alkenes, C10-13

Method: calculated Koc (soil partition coefficient)

Type: adsorption
Media: water-soil
Conditions: Brigg’s Correlation : log Koc = 0.52 log Kow + 0.88
assuming log Kow = 7

Results

Value: Koc = 33,175

Reliability: (2) Reliable with restrictions: Result was calculated.

References: ENICHEM, Environmental partitioning model: a computer


program prepared by Garlanda T and Mascero Garlanda M.
(1990).

Remarks: IUCLID cites Shell Chemicals UK Ltd, Chester

454 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 85535-87-1
DATE: 28.04.2005
D. Test Substance

Identity: CAS No. 85535-87-1, Alkenes, C10-13

Type: volatility
Media: water – air

Method: Calculated

Results

Value: Henry’s Law constant = 11178 x 100 Pa x mc/mol

Reliability: (2) Reliable with restrictions: Result was


calculated.

References: ENICHEM, Environmental partitioning model: a computer


program prepared by Garlanda T and Mascero Garlanda M.
(1990)

Remarks: IUCLID cites Enichem Augusta Industrials, Milan

E. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method: Henry’s Law Constant calculated value using the computer


program EPIWIN, HENRY v 3.10

Test Conditions: Bond and Group estimates based on chemical structure, at


25°C; VP/water solubility estimates based on values of
VP = 2.09 mm Hg and WS = 0.329 mg/L. Program used the
structure for 1-decene.

Results

Value: Bond estimate = 1.11 atm-m3/mole


Group estimate = 2.13 atm-m3/mole
VP/Wsol estimate = 1.17 atm-m3/mole

Reliability: (2) Reliable with restrictions: Values are calculated.

Reference: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

F. Test Substance

Identity: CAS No. 25377-82-6, Tridecene

Method

Method: Henry’s Law Constant calculated value using the computer


program EPIWIN, HENRY v 3.11

UNEP PUBLICATIONS 455


OECD SIDS ALKENES, C10-13
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 85535-87-1
DATE: 28.04.2005

Test Conditions: Bond and Group estimates based on chemical structure, at


25°C; VP/water solubility estimates based on values of
VP = 0.105 mm Hg and WS = 0.3067 mg/L. Program used the
structure for 1-tridecene.

Results

Value: Bond estimate = 2.61 atm-m3/mole


Group estimate = 6.00 atm-m3/mole
VP/Wsol estimate = 0.686 atm-m3/mole

Reliability: (2) Reliable with restrictions: Values are calculated.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

3.4 Aerobic Biodegradation

A. Test Substance: C10-13 Internal Olefins (Shop Olefins 103 PQ11), linear

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method/guideline: EEC Directive 84/449/EEC; Similar to OECD (301 D)


Closed Bottle Test.
Test Type: aerobic
GLP: Yes
Year: 1984
Contact time: 28 days
Innoculum: activated sludge

Test Conditions: Microorganisms were obtained from Sittingbourne Sewage


Works (UK) and prepared according to standard test
protocols. C10-13 Alpha Olefin was added to the test
medium from a stock solution containing 2.4 g/L
emulsified in Dobane PT sulphonate. The final test
concentration was 2 mg olefins 103/L. Test bottles were
incubated at 21±1°C and the extent of biodegradation was
determined by measuring oxygen concentration in the
bottles at days 5, 15 and 28. Controls with no
microbial innoculum (control) and with medium plus
microbial innoculum only (blank) were included. Sodium
benzoate was used as a biodegradable substance to
demonstrate the activity of the microbial innoculum.

Results: Under these test conditions, 103 PQ11Olefin was oxidized


to 40% of the theoretical oxygen demand by day 5 and 65-
70% by day 28 with no lag period. There was no
significant inhibition of microbial activity under the
test conditions. The report indicated that 103 Olefin
was considered readily biodegradable; however,
insufficient information was available to determine
whether the 10-day window criterion was satisfied.

456 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 85535-87-1
DATE: 28.04.2005
Reliability: (2) Reliable with restrictions: No information on
kinetic of biodegradation or biodegradation of reference
substance.

References: Miller RC, Watkinson RJ. (1984). Olefins 103 PQ 11: An


Assessment of Ready Biodegradability. Shell Research
Limited, Sittingbourne Research Center (unpublished
report).

B. Test Substance

Identity: C10-13 Internal Olefins (Shop Olefins 103), internal


linear

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method

Method/guideline: OECD 301D Closed Bottle Test


Type: Aerobic [X ] Anaerobic [ ]
GLP: Yes
Year: 1985
Contact time: 28 days
Inoculum: Activated domestic sludge

Test Conditions: Microorganisms were obtained from Sittingbourne Sewage


Works (UK) and prepared according to standard test
protocols. C10-13 Olefin was added to the test medium
from a stock solution containing 2.4 g/L emulsified in
Dobane PT sulphonate. The final test concentration was
2 mg olefins 103/L. Test bottles were incubated at
21±1°C and the extent of biodegradation was determined
by measuring oxygen concentration in the bottles at days
5, 15 and 28. Controls with no microbial innoculum
(control) and with medium plus microbial innoculum only
(blank) were included. Sodium benzoate was used as a
biodegradable substance to demonstrate the activity of
the microbial innoculum.

Results: Under these test conditions, 103 Olefin was oxidized to


54% of the theoretical oxygen demand by day 5 and 60-67%
by day 28 with no lag period. 89% of the possible
oxygen demand had been consumed in the bottles titrated
on day 15. Based on the 15-day results, the 10-day
window criterion for “readily biodegradable” appears to
have been met; however, the lower values found on day 28
confound the evaluation.

Reliability: (2) Reliable with restrictions: Insufficient information


on kinetic of biodegradation or biodegradation of
reference substance.

Reference: Turner, S.J., Watkinson, R.J., (1985) Shop Olefins 103:


An assessment of Ready Biodegradability, Sittingbourne,
Shell Research Limited, SBGR.85.106 (unpublished
report).

UNEP PUBLICATIONS 457


OECD SIDS ALKENES, C10-13
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 85535-87-1
DATE: 28.04.2005

C. Test Substance

Identity: CAS No. 68526-56-7; Alkenes, C9-11, C10 Rich

Method

Method/guideline: OECD 301F, Ready Biodegradability, Manometric


Respirometry Test
Type: Aerobic [X ] Anaerobic [ ]
GLP: Yes
Year: 1995
Contact time: 28 days
Inoculum: Domestic activated sludge

Test Conditions: Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride).

Test vessels were 1L glass flasks placed in a waterbath


and electronically monitored for oxygen consumption.

Test material was tested in triplicate, controls and


blanks were tested in duplicate. Test material loading
was approximately 42 mg/L. Sodium benzoate (positive
control) concentration was approximately 44 mg/L. Test
temperature was 22 +/- 1 Deg C.

All test vessels were stirred constantly for 28 days


using magnetic stir bars and plates.

Results: Approximately 21% biodegradation of the test material


was measured on day 28. Approximately 10% biodegradation
was achieved on day 17.

By day 14, >60% biodegradation of the positive control


was measured, which meets the guideline requirement. No
excursions from the protocol were noted.

Biodegradation was based on oxygen consumption and the


theoretical oxygen demand of the test material as
calculated using results of an elemental analysis of the
test material.

% Degradation* Mean %
Degradation
Sample (day 28) (day 28)
Test Material 20.9, 19.9, 22.6 21.1
Na Benzoate 98.9, 95.5 97.2

* replicate data

Reliability: (1) Reliable without restriction

Flag: Key study for SIDS endpoint

Reference: Exxon Biomedical Sciences, Inc. (1997) Ready


Biodegradability: OECD 301F Manometric Respirometry.

458 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 85535-87-1
DATE: 28.04.2005
Study #119294A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).

3.5 BOD5, COD or ratio BOD5/COD

No data available

3.6 Bioaccumulation

A. Test Substance

Identity: CAS No. 25339-53-1, Decene

Method

Method: BCF calculated value using the computer program EPIWIN,


BCF v 2.15

Test Conditions: Based on chemical structure and an experimental Log Kow


of 5.70 from the EPIWIN database, using methods
described by Meylan et al., 1999. Formula used to make
BCF estimate: Log BCF = 0.77 log Kow – 0.70 + correction
(alkyl chains [8+ -CH2- groups] with a value of -1).

Results

Value: Estimated Log BCF = 2.689 (BCF = 488.7)

Reliability: (2) Reliable with restrictions: Results are calculated.

Reference: Meylan,WM, Howard,PH, Boethling,RS et al. (1999)


Improved method for estimating bioconcentration /
bioaccumulation factor from octanol/water partition
coefficient. Environ. Toxicol. Chem. 18(4): 664-672

EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 25377-82-6, Tridecene

Method

Method: BCF calculated value using the computer program EPIWIN,


BCF v 2.15

Test Conditions: Based on chemical structure and a Log Kow of 6.59


estimated by EPIWIN, using the structure for 1-
tridecene and methods described by Meylan et al., 1999.
Formula used to make BCF estimate: Log BCF = 0.77 log
Kow – 0.70 + correction (alkyl chains [8+ -CH2- groups]
with a value of -1.5).

Results

Value: Estimated Log BCF = 2.874 (BCF = 747.8)

UNEP PUBLICATIONS 459


OECD SIDS ALKENES, C10-13
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 85535-87-1
DATE: 28.04.2005

Reliability: (2) Reliable with restrictions: Results are calculated.

Reference: Meylan,WM, Howard,PH, Boethling,RS et al. (1999)


Improved method for estimating bioconcentration /
bioaccumulation factor from octanol/water partition
coefficient. Environ. Toxicol. Chem. 18(4): 664-672

EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

3.7 Additional Information

A. Sewage Treatment

Test Substance

Identity: CAS No. 25339-53-1, Decene

Test Method: Calculated, EPIWIN STP Fugacity Model, predicted fate in


a wastewater treatment facility. Input values: MW
= 140.27; Henry’s LC = 2.68 atm-m3/mol; air-water
partition coefficient = 109.604; Log Kow =5.7; biomass
to water partition coefficient = 100,238; temperature =
25°C
GLP: No
Test Medium: Secondary waste water treatment (water)
Test Type: Aerobic

Test Results: 99.89 % removed from wastewater treatment

Reference: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

B. Sewage Treatment

Test Substance

Identity: CAS No. 25377-82-6, Tridecene

Test Method: Calculated, EPIWIN STP Fugacity Model, predicted fate in


a wastewater treatment facility. Input values: MW
= 182.35; Henry’s LC = 2.61 atm-m3/mol; air-water
partition coefficient = 106.741; Log Kow =6.59; biomass
to water partition coefficient = 778,091; temperature =
25°C
GLP: No
Test Medium: Secondary waste water treatment (water)
Test Type: Aerobic

Test Results: 99.51 % removed from wastewater treatment

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

460 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
4.1 Acute Toxicity to Fish

A. Test Substance

Identity: CAS No. 68526-56-7; Alkenes, C9-11, C10 Rich

Method

Method/guideline: OECD 203


Test type: Semistatic Fish Acute Toxicity Test
GLP: Yes [X ] No [ ]
Year: 1995
Species/Strain: Rainbow Trout (Oncorhynchus mykiss)
Analytical Monitoring: Yes
Exposure period: 96 hours
Statistical methods: Trimmed Spearman-Karber Method (Hamilton, M.A. et
al. 1977. Trimmed Spearman-Karber Method for Estimating
Median Lethal Concentration in Toxicity Bioassays.
Environ. Sci. Technol. 11:714-719.)

Test Conditions: Each test solution was prepared by adding the test
substance, via syringe, to 19.5 L of laboratory blend
water in 20 L glass carboys. The solutions were mixed
for 24 hours with a vortex of <10%. Mixing was performed
using a magnetic stir plate and Teflon coated stir bar
at room temperature (approximately 22C). After mixing,
the solutions were allowed to settle for one hour after
which the Water Accommodated Fraction (WAF) was siphoned
from the bottom of the mixing vessel through a siphon
that was placed in the carboy prior to adding the test
material. Test vessels were 4.0 L aspirator bottles that
contained approximately 4.5 L of test solution. Each
vessel was sealed with no headspace after 4 fish were
added. Three replicates of each test material loading
were prepared. Approximately 80% of each solution was
renewed daily from a freshly prepared WAF.

Test material loading levels included: 0.2, 0.4, 1.2,


3.5, and 10 mg/L, which measured 0.01, 0.03, 0.06, 0.08,
and 2.6 mg/L, respectively, and are based on the mean of
samples taken from the new and old test solutions. A
control containing no test material was included and the
analytical results were below the quantitation limit,
which was 0.03 mg/L.

Water hardness was 160-180 mg/L as CaCO3. Test


temperature was 16C (sd = 0.2). Lighting was 445 to 555
Lux with a 16-hr light and 8-hr dark cycle. Dissolved
oxygen ranged from 8.7 to 9.9 mg/L for "new" solutions
and 7.2 to 8.5 mg/L for "old" solutions. The pH ranged
from 7.0 to 8.8 for "new" solutions and 7.3 to 8.7 for
"old" solutions.

Fish supplied by Thomas Fish Co. Anderson, CA, USA; age


at test initiation = approximately 5 weeks; mean wt. at
test termination = 0.175 g; mean total length at test
termination = 3.0 cm; test loading = 0.19 g of fish/L.
The fish were slightly shorter than the guideline
suggestion of 4.0 to 6.0 cm, which were purposely
selected to help maintain oxygen levels in the closed

UNEP PUBLICATIONS 461


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
system. Fish size had no significant effect on study
outcome.

Results: 96-hour LL50 = 4.8 mg/L (95% CI 3.8 to 6.0 mg/L) based
upon loading rates.
96-hour LC50 = 0.12 mg/L (95% CI 0.11 to 0.14 mg/L)
based upon measured values of old and new solutions.

Analytical method used was Headspace Gas Chromatography


with Flame Ionization Detection (GC-FID).

Loading Measured Fish Total


Rate (mg/L) Conc. (mg/L) Mortality (@96 hrs)*
Control Control 0
0.2 0.01 0
0.4 0.03 0
1.2 0.06 0
3.5 0.08 3
10 0.26 15**

* 15 fish added at test initiation


** 1 mortality not test related

Reliability: (1) Reliable without restriction

Flag: Key study for SIDS endpoint

References: Exxon Biomedical Sciences, Inc. (1996) Fish, Acute


Toxicity Test. Study #119258. Exxon Biomedical Sciences,
Inc., East Millstone, NJ, USA (unpublished report).

B. Test Substance

Identity: Olefins 103 PQ 11 (C10-C13 internal olefins), linear

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method/Guideline: Not stated

Year (guideline): Not stated


Type (test type): Semi-static Fish Acute Toxicity Test
GLP: Not stated
Year (study performed): 1984
Species: Rainbow Trout (Salmo gairdneri)
Analytical Monitoring: No
Exposure Period: 96 Hours
Statistical Method: Visual inspection

Test Conditions: Control and dilution water was laboratory mains


tap water obtained from bore holes in the chalk of North
Downs (U.K.). Water was dechlorinated and passed
through particle and activated carbon filters
(alkalinity 253 mg/L as CaCO3, hardness 274 mg/L as
CaCO3, conductivity 510 µS/cm, pH 7.3). Test vessels
were glass aquaria each filled with 10 L of water and
contained 10 fish per vessel. Quantities of test
substance were added directly to six aquaria to give
concentrations of 20, 50, 100, 200, 500, and 1000 mg/L.
The seventh aquarium served as a control and received no

462 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
test substance. The fish were not fed during the test.
Test fish had a mean length of 3.0 cm (range 2.5 to 3.3
cm) and a mean weight of 0.23 g (range 0.15 to 0.32 g).
Fingerlings were obtained from Itchen Valley Trout Farm,
Alresford, Hampshire, U.K. and acclimated to test
conditions for more than 10 days before use. One
replicate per treatment and control was used. The
aquaria were gently aerated to maintain dissolved oxygen
concentration. At 24 h intervals, the number of dead
fish was recorded and any dead removed, dissolved oxygen
and pH were measured in the old and fresh solutions of
the control and high concentration, and the test
solutions were renewed. Temperature in one test
aquarium was monitored at 4h intervals throughout the
test. Total hardness was determined in each batch of
fresh media. Test temperature was 13-17 Deg C. Dissolved
oxygen ranged from 10.0 to 10.4 mg/L in the fresh media
and 9.8 to 10.2 mg/L in the old solutions. pH was 8.2 –
8.4. Total hardness was 240-260 mg/L as CaCO3.
Photoperiod was not stated in the test report.

Results:

Units/Value: 96h LL0 =1000 mg/L; LC50 > solubility

Remarks: Observations made during the study suggest the test


substance was not wholly soluble at concentrations of
approximately 20 mg/L and greater as indicated by an
oily film visible on the surface of the test solutions.
Concentrations were expressed as the amount of test
substance added.
No fish died during the 96h exposure in the 1000 mg/L
treatment. The 96h LC50 was > solubility. There were
also 100% survival in the control, 50, 100, 200 and 500
mg/L treatments. One fish died (10% mortality) in the 20
mg/L treatment. Although the report did not state
whether the study was conducted under GLP, a quality
assurance statement was included stating that study
procedures were inspected and the report was audited.

Reliability: (2) Reliable with restrictions. Test substance was not


wholly soluble at the concentrations tested. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Other shortcomings of the study include: 1)
only one replicate per concentration was used, and 2)
analytical verification of the test substance in the
exposure solutions was not performed.

Reference: Shell Research Limited (1984) Olefins 103 PQ 11: Acute


toxicity to Salmo gairdneri, Daphnia magna and
Selenastrum capricornutum. Sittingbourne Research
Centre, SBGR.83.359 (unpublished report).

Other: This study was included in the dossier for 1-decene at


SIAM 11. Additional information has been added.

C. Test Substance

UNEP PUBLICATIONS 463


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
Identity: SHOP Olefins 103 (C10-C13 linear internal olefins)

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method/Guideline: Not stated

Year (guideline): Not stated


Type (test type): Semi-static Fish Acute Toxicity Test
GLP: Not stated
Year (study performed):1985
Species: Rainbow Trout (Salmo gairdneri)
Analytical Monitoring:No
Exposure Period: 96 Hours
Statistical Method:Visual inspection

Test Conditions: Control and dilution water was laboratory mains


tap water obtained from bore holes in the chalk of North
Downs (U.K.). Water was dechlorinated and passed
through particle and activated carbon filters
(alkalinity 255 mg/L as CaCO3, hardness 270 mg/L as
CaCO3, conductivity 545 µS/cm, pH 7.4). Test vessels
were glass aquaria each filled with 10 L of water and
contained 10 fish per vessel. Quantities of test
substance were added directly to two aquaria to give
concentrations of 500 and 1000 mg/L. A third aquarium
served as a control and received no test substance. The
fish were not fed during the test. Test fish had a mean
length of 4.1 cm (range 3.9 to 4.5 cm) and a mean weight
of 0.66 g (range 0.47 to 0.86 g). Fingerlings were
obtained from Itchen Valley Trout Farm, Alresford,
Hampshire, U.K. and acclimated to test conditions for
more than 10 days before use. One replicate per
treatment and control was used. The aquaria were gently
aerated to maintain dissolved oxygen concentration. At
24 h intervals, the number of dead fish was recorded and
any dead removed, dissolved oxygen and pH were measured
in the old and fresh solutions of the control and high
concentration, and the test solutions were renewed.
Temperature in one test aquarium was monitored at 4h
intervals throughout the test. Total hardness was
determined in each batch of fresh media. Test
temperature was 18.5±1.0 Deg C. Dissolved oxygen ranged
from 9.6 to 10.2 mg/L in the fresh media and 9.0 to 9.8
mg/L in the old solutions. pH was 7.4 – 8.4. Total
hardness was 222-262 mg/L as CaCO3. Photoperiod was not
stated in the test report.

Results:

Units/Value: 96h LC50 was > solubility; LL0 = 1000 mg/L

Remarks: The test substance was not wholly soluble at the test
concentrations and was visible as floating droplets.
Concentrations were expressed as the amount of test
substance added. Only one fish died during the 96h

464 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
exposure in the 1000 mg/L treatment. The 96h LC50 was >
solubility. There was 100% survival in the control and
500 mg/L treatment.

Reliability: (2) Reliable with restrictions. Test substance was not


wholly soluble at the concentrations tested. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Other shortcomings of the study include: 1)
only two concentrations were tested, 2) only one
replicate per concentration was used, and 3) analytical
verification of the test substance in the exposure
solutions was not performed.

Reference: Shell Research Limited (1985) SHOP Olefins 103: Acute


toxicity (Salmo gairdneri, Daphnia magna and Selenastrum
capricornutum) and n-octanol/water partition
coefficient. Sittingbourne Research Centre, SBGR.85.182
(unpublished report).

Other: This study was included in the dossier for 1-decene at


SIAM 11. Additional information has been added.

4.2 Acute Toxicity to Aquatic Invertebrates (e.g. Daphnia)

A. Test Substance

Identity: Olefins 103 PQ 11 (C10-C13 linear internal olefins)

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method/Guideline: Not stated

Year (guideline): Not stated


Type (test type): Static Daphnid Acute Toxicity Test
GLP: Not stated
Year (study performed): 1983
Species: Water Flea (Daphnia magna)
Analytical Monitoring: No
Exposure Period: 48 hours
Statistical Method: Probit analysis

Test Conditions: Nominal loading rates in the definitive test were


0, 0.05, 0.1, 0.2, 0.5, 1, 2, and 5 mg/L. Control and
dilution water was reconstituted hard water prepared by
adding salts to glass-distilled deionized water
following EPA guidelines (hardness 170 mg/L as CaCO3).
Quantities of stock solutions of the test substance in
acetone were added to triplicate sets of 140 ml conical
flasks and made up to 140ml with dilution water. Three
flasks served as controls and received no test
substance. Acetone concentration in control and test
flasks was 0.1 ml/L. Ten daphnids, less than 24h old,
were placed in each flask. Daphnids were obtained from
laboratory cultures and collected from cultures aged
between 15 and 35 days. Young for testing were not taken

UNEP PUBLICATIONS 465


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
from cultures containing adults with ephippia. In order
to minimize daphnids from potentially being trapped in
undissolved test substance at the surface of the test
solutions, loosely fitting black paper caps were placed
over the flasks to create a darkened zone which the
daphnids would avoid. After 24 and 48h, the numbers of
immobilized daphnids were recorded. Temperature in one
test vessel was monitored at 4h intervals. The pH and
dissolved oxygen concentration in a control and highest
treatment were determined at test initiation and
termination. Total hardness of the dilution water used
was measured at the beginning of the test. Test
temperature was 18 – 22 Deg C. Photoperiod was 16 hrs
light and 8 hrs dark. Dissolved oxygen ranged from 8.8
to 9.2 mg/L. pH was 8.0 – 8.3. Total hardness of the
water was 170 mg/L as CaCO3.

Results:

Units/Value: 48-h EL50 = 0.74 mg/L (nominal)

Remarks No undissolved test substance was observed even at 5


mg/L, the highest concentration tested.. Concentrations
were expressed as the amount of test substance added.
48-h EL50 = 0.74 mg/L (nominal) with 95% confidence
limits of 0.61-0.88 mg/L. There was no immobilization of
D. magna in the control, 0.05, and 0.1mg/L after 48-h.
There were 1 (3.3%), 7 (23.3%), 19 (63.3%), 30 (100%)
and 30 (100%) daphnids immobilized in the 0.2, 0.5, 1,
2, and 5 mg/L, respectively. Although the report did not
state whether the study was conducted under GLP, a
quality assurance statement was included stating that
study procedures were inspected and the report was
audited.

Reliability: (2) Reliable with restrictions. This study was well


documented and comparable to a guideline study.
Information provided indicate that test concentrations
did not appear to have exceeded water solubility of the
test substance as evidenced by absence of undissolved
material in the exposure solutions. However, analytical
verification of the test substance in the test solutions
was not performed.

Flag: Key study for SIDS endpoint

Reference: Shell Research Limited (1984) Olefins 103 PQ 11: Acute


toxicity to Salmo gairdneri, Daphnia magna and
Selenastrum capricornutum. Sittingbourne Research
Centre, SBGR.83.359 (unpublished report).

Other: This study was included in the dossier for 1-decene at


SIAM 11. Additional information has been added.

B. Test Substance

Identity: SHOP Olefins 103 (C10-C13 linear internal olefins)

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

466 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005

Method/Guideline: Not stated

Year (guideline): Not stated


Type (test type): Static Daphnid Acute Toxicity Test
GLP: Yes
Year (study performed): 1985
Species: Water Flea (Daphnia magna)
Analytical Monitoring: No
Exposure Period: 48 hours
Statistical Method: Probit analysis

Test Conditions: Nominal loading rates in the definitive test were


0, 1.0, 2.2, 4.6, 10, 22, 46, 100, 220, 460 and 1000
mg/L. Control and dilution water was reconstituted hard
water prepared by adding salts to glass-distilled
deionized water following EPA guidelines (hardness 168-
169 mg/L as CaCO3). Before use, a soil extract was added
to the reconstituted fresh water at 20 ml/L. The soil
extract was prepared by autoclaving 100 g soil/L
distilled water for 15 min at 120 deg C and filtered
through Whatman GF/C filter. Quantities of stock
solutions of the test substance in Analar acetone were
added to triplicate sets of 140 ml glass flasks and made
up to 140ml with dilution water. Three flasks served as
controls and received no test substance. Acetone
concentration in control and test flasks was 0.1 ml/L.
Ten daphnids, less than 24h old, were placed in each
flask. Daphnids were obtained from laboratory cultures
and collected from cultures aged between 15 and 35 days.
Young for testing were not taken from cultures
containing adults with ephippia. In order to minimize
daphnids being trapped in the surface layer of test
substance visible at all test concentrations, loosely
fitting black caps were placed over the flasks to create
a darkened zone which the daphnids would avoid. After
24 and 48h, the numbers of immobilized daphnids were
recorded. Temperature in one test vessel was monitored
at 4h intervals. The pH and dissolved oxygen
concentration in a control and highest treatment were
determined at test initiation and termination. Total
hardness of the dilution water used was measured at the
beginning of the test. Test temperature was 18 – 22 Deg
C. Photoperiod was 16 hrs light and 8 hrs dark.
Dissolved oxygen ranged from 8.6 to 9.0 mg/L. pH was 8.0
– 8.4. Total hardness of the water was 170 mg/L as
CaCO3.

Results:

Units/Value: 48-h EL50 = 480 mg/L (nominal)

Remarks: The test substance was not wholly soluble at all test
concentrations and was visible at the surface.
Concentrations were expressed as the amount of test
substance added. 48-h EL50 = 480 mg/L with 95%
confidence limits of 400-580 mg/L. There was no
immobilization of D. magna in the control, 1.0, 2.2,
4.6, 10, 22, 46 and 100 mg/L after 48-h. There were 3
(10%), 14 (46.7%), and 27 (90%) daphnids immobilized in
the 220, 460, and 1000 mg/L, respectively.

UNEP PUBLICATIONS 467


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005

Reliability: (3) Not Reliable. Test substance was not wholly soluble
at the concentrations tested despite the use of a
solvent carrier to prepare stock solutions. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Analytical verification of the test substance
in the exposure solutions was also not performed.

Reference: Shell Research Limited (1985) SHOP Olefins 103: Acute


toxicity (Salmo gairdneri, Daphnia magna and Selenastrum
capricornutum) and n-octanol/water partition coefficent.
Sittingbourne Research Centre, SBGR.85.182 (unpublished
report).

Other: This study was included in the dossier for 1-decene at


SIAM 11. Additional information has been added.

4.3 Toxicity to Aquatic Plants (e.g. Algae)

A. Test Substance

Identity: Olefins 103 PQ 11 (C10-C13 linear internal olefins)

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method/Guideline: Not stated

Year (guideline): Not stated


Type (test type): Algal Toxicity Test
GLP: Not stated
Year (study performed): 1983
Species: Freshwater Green Alga (Selenastrum capricornutum)
Analytical Monitoring: No
Exposure Period: 4 days
Statistical Method: EL50 values determined by probit analysis

Test Conditions: Control and dilution water was algal nutrient


medium prepared by dissolving Analar grade salts in
glass-distilled deionized water according to EPA
guidelines except that boric acid was present at 105
µg/L and sodium bicarbonate at 50 mg/L. Sixteen
Erlenmeyer flasks containing 50 ml of culture medium
were prepared. Quantities of stock solutions of the test
substance in acetone were added to ten flasks to give
concentrations of 1.0, 2.2, 4.6, 10, 22, 46, 100, 220,
460, and 1000 mg/L. Six flasks served as controls and
received no test substance. Acetone concentration in the
control and treatment flasks was 0.1 ml/L. Each flask
was inoculated with algal cells to yield an initial
concentration of 500 cells/ml. Algal cells were obtained
from laboratory cultures that were originally derived
from a strain from American Type Culture Collection
(ATCC 22662). Flasks were incubated in a cooled orbital
(100 cycles/min) incubator under constant illumination
(~3000 lux) at 22-26 deg C (monitored at 4h intervals).

468 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
After 2 and 4 days incubation, cell counts were made
using a Coulter Counter. The initial pH in the control
and highest concentration was 7.9 – 8.0. The 96h EC50
(concentration causing a 50% reduction in cell number at
day 4 compared to mean control cell number at day 4) was
calculated using log transformed concentration values.

Results:

Units/Value: 96h EL50 based on cell numbers at day 4 was 24


mg/L

Remarks: The test substance was not wholly soluble at


concentrations of approximately 20 mg/L and greater as
indicated by an oily film visible on the surface of the
test solutions. Concentrations were expressed as the
amount of test substance added. The 96h EC50 based on
cell numbers at day 4 was 24 mg/L with 95% confidence
limits of 2.9-79 mg/L).

Nominal Day 4 Cell Conc. Day 4 cell number as %


Conc. (mg/L) (cells/ml x 106) Day 4 mean control cell number
Control 1.03(mean)
1.0 1.1 112
2.2 1.1 110
4.6 1.1 108
10 0.87 85
22 0.33 32
46 0.092 9
100 0.13 13
220 0.11 11
460 0.093 9
1000 0.096 9

Although the report did not state whether the study was
conducted under GLP, a quality assurance statement was
included stating that study procedures were inspected
and the report was audited.

Reliability: (3) Not Reliable. Test substance was not wholly soluble
at some of the concentrations tested despite the use of
a solvent carrier to prepare stock solutions. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Other shortcomings of the study include: 1)
only one replicate per concentration was used, and 2)
analytical verification of the test substance in the
exposure solutions was not performed.

Reference: Shell Research Limited (1984) Olefins 103 PQ 11: Acute


toxicity to Salmo gairdneri, Daphnia magna and
Selenastrum capricornutum. Sittingbourne Research
Centre, SBGR.83.359 (unpublished report).

B. Test Substance

Identity: SHOP Olefins 103 (C10-C13 linear internal olefins)

UNEP PUBLICATIONS 469


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.
28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method/Guideline: Not stated

Year (guideline): Not stated


Type (test type): Algal Toxicity Test
GLP: Yes
Year (study performed): 1985
Species: Freshwater Green Alga (Selenastrum capricornutum)
Analytical Monitoring: No
Exposure Period: 4 days
Statistical Method: EC50 values determined by probit analysis

Test Conditions: Control and dilution water was algal nutrient


medium prepared by dissolving Analar grade salts in
glass-distilled deionized water according to EPA
guidelines except that boric acid was present at 105
µg/L and sodium bicarbonate at 50 mg/L. Sixteen
Erlenmeyer flasks containing 50 ml of culture medium
were prepared. Quantities of stock solutions of the test
substance in Analar acetone were added to ten flasks to
give concentrations of 1.0, 2.2, 4.6, 10, 22, 46, 100,
220, 460, and 1000 mg/L. Six flasks served as controls
and received no test substance. Acetone concentration in
the control and treatment flasks was 0.1 ml/L. Each
flask was inoculated with algal cells to yield an
initial concentration of 500 cells/ml. Algal cells were
obtained from laboratory cultures that were originally
derived from a strain from American Type Culture
Collection (ATCC 22662). Flasks were incubated in a
cooled orbital (100 cycles/min) incubator under constant
illumination (~3000 lux) at 22.0-26.5 deg C (monitored
at 4h intervals). After 2 and 4 days incubation, cell
counts were made using a Coulter Counter. The pH in the
control and highest concentration ranged from 7.4 – 7.6
at test initiation and 7.1 – 7.4 at test termination.
The 96h EC50 (concentration causing a 50% reduction in
cell number at day 4 compared to mean control cell
number at day 4) was calculated using log transformed
concentration values.

Results:

Units/Value: 96h EL50 based on cell numbers at day 4 was 22


mg/L

Remarks: The test substance was not wholly soluble at 220, 460,
and 1000 mg/L and was visible as floating droplets which
precluded cell counting. Concentrations were expressed
as the amount of test substance added.
The 96h EC50 based on cell numbers at day 4 was 22 mg/L
with 95% confidence limits of 19-24 mg/L).

470 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
Nominal Day 4 Cell Conc. Day 4 cell number as %
Conc. (mg/L) (cells/ml x 106) Day 4 mean control cell
number
Control 1.25(mean)
1.0 1.4 115
2.2 1.1 92
4.6 1.4 111
10 1.1 87
22 0.63 51
46 0.12 10
100 0.015 1

Reliability: (3) Not Reliable. Test substance was not wholly soluble
at some of the concentrations tested despite the use of
a solvent carrier to prepare stock solutions. A more
appropriate and currently accepted method for preparing
test solutions for multi-component test substances with
low water solubility is the use of water accommodated
fractions. Other shortcomings of the study include: 1)
only one replicate per concentration was used, and 2)
analytical verification of the test substance in the
exposure solutions was not performed.

Reference: Shell Research Limited (1985) SHOP Olefins 103: Acute


toxicity (Salmo gairdneri, Daphnia magna and Selenastrum
capricornutum) and n-octanol/water partition coefficent.
Sittingbourne Research Centre, SBGR.85.182 (unpublished
report).

Other: This study was included in the dossier for 1-decene at


SIAM 11. Additional information has been added.

4.4 Toxicity to Micro-organisms, e.g. Bacteria

Test Substance

Identity: CAS No. 85535-87-1, Alkenes C10-13, linear internal olefins

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No. 28761-27-5 (C11 =
27-45%); CAS No. 25378-22-7 (C12 = 37-47%); CAS No. 25377-82-6 (C13 =
8-17%)

Method

Method : Inhibition of growth


GLP: No data
Species: Pseudomonas fluorescens
Exposure
Period: No data
Analytical
Monitoring: No data

Results: Maximum inhibition was 19% at 1000 mg/L

UNEP PUBLICATIONS 471


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
Reliability: (4) Not assignable

Reference: Turner, S.J., Watkinson, R.J., (1985) Shop Olefins 103: An


assessment of Ready Biodegradability, Sittingbourne, Shell Research
Limited, SBGR.85.106 (unpublished report).

Other: This study was included in the dossier for 1-decene at SIAM
11.

4.5 Chronic Toxicity to Aquatic Organisms

A. Chronic Toxicity to Fish

(1) Test Substance: CAS No. 25339-53-1, Decene

Method/Guideline:

Type (test type): 30-day Chronic Toxicity Value (ChV) calculated


using the computer program ECOSAR, version 0.99g
included in the EPI Suite software, v 3.11
(EPIWIN, 2000b)

Species: Fish

Test Conditions: The program uses structure-activity relationships


(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 5.12, which was estimated by EPIWIN using
the structure for 1-decene.

Results:

Units/Value: Estimated 30-day ChV = 26 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

(2) Test Substance: CAS No. 28761-27-5, Undecene (mixture of isomers)

Method/Guideline:

472 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
Type (test type): 30-day Chronic Toxicity Value (ChV) calculated
using the computer program ECOSAR, version 0.99g
included in the EPI Suite software, v 3.11
(EPIWIN, 2000b)

Species: Fish

Test Conditions: The program uses structure-activity relationships


(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program useda Kow
value of 5.53 for undecene estimated by EPIWIN
using the structure for 5-undecene.

Results:

Units/Value: Estimated 30-day ChV for undecene = 13 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

(3) Test Substance: CAS No. 25378-22-7, Dodecene

Method/Guideline:

Type (test type): 30-day Chronic Toxicity Value (ChV) calculated


using the computer program ECOSAR, version 0.99g
included in the EPI Suite software, v 3.11
(EPIWIN, 2000b)

Species: Fish

Test Conditions: The program uses structure-activity relationships


(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used

UNEP PUBLICATIONS 473


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
for input into EPIWIN. The program used a Kow
value of 6.10, which was estimated by EPIWIN using
the structure for 1-dodecene.

Results:

Units/Value: Estimated 30-day ChV = 4 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

(4) Test Substance: CAS No. 25377-82-6, Tridecene

Method/Guideline:

Type (test type): 30-day Chronic Toxicity Value (ChV) calculated


using the computer program ECOSAR, version 0.99g
included in the EPI Suite software, v 3.11
(EPIWIN, 2000b)

Species: Fish

Test Conditions: The program uses structure-activity relationships


(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 6.59, which was estimated by EPIWIN using
the structure for 1-tridecene.

Results:

Units/Value: Estimated 30-day ChV = 2 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

474 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
B. Chronic Toxicity to Aquatic Invertebrates

(1) Test Substance: CAS No. 872-05-9, 1-Decene

Method/Guideline: OECD Guideline 211

Year (guideline): 1998


Type (test type): Daphnid Chronic Toxicity Test
GLP (Y/N): Yes
Year (study performed): 2004
Species: Daphnia magna Straus
Analytical Monitoring: Yes
Exposure Period: 21 days
Statistical Method: The EC10 and EC50 values were calculated
using the Power Model of the Benchmark Dose (BMD)
method (USEPA, 2001). The LOEC and NOEC was
determined using the Wilcoxon Rank Sum (Hollander
and Wolfe, 1999) with Bonferroni Adjustment
(Bland, 1995) using TOXSTAT software (Gulley,
1994). TOXSTAT was also used to perform a t-test
with Bonferroni Adjustment (Bland, 1995) to
analyze the growth data.
United States Environmental Protection Agency
(USEPA), Benchmark Dose software, V1.3.1. 2001.
Hollander, M. and Wolfe, D.A., Nonparametric
Statistical Methods 2nd Ed, John Wiley and Sons,
New York, 1999.
Gulley, DD and WEST, Inc. TOXSTAT, V.3.4. Western
Ecosystems Technology, Inc. Cheyenne, WY, 1994.
Bland, MJ., “Multiple significance tests: the
Bonferroni method”, British Medical Journal, v310,
pg. 170, 1995.

Test Conditions: 1-Decene in a closed system was aerated using an


air stone at an air flow rate of 160 to 180 cc/min.
The vapor generated from the aeration procedure
flowed into an aspirator bottle and bubbled through
vehicle/dilution medium (reconstituted water). The
1-decene saturated vapor passed through an air
stone near the bottom of the aspirator bottle
providing maximum contact between the test
substance in the vapor phase and vehicle/dilution
medium. This procedure was followed to develop a
stock solution, which was diluted to achieve a
range of exposure solutions.
The test chambers were 125 mL capacity clear glass
bottles with foil lined screw tops (no headspace).
One daphnid was added to each of 10 replicates.
The Daphnia were cultured in-house, were <24 hours
old, and were from 16-day old parents. The test
was performed using a static daily renewal of
exposure solutions. Observations for abnormal or
immobilized daphnids and neonates were made on each
replicate at approximately 24-hour intervals.
Test organisms were fed daily when solutions were
renewed by adding 0.4 mL of a 1.3E8 cells/mL

UNEP PUBLICATIONS 475


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
suspension of Pseudokirchneriella subcapitata to
provide approximately 4.2E5 cells/mL. Test
organisms were also fed during renewals with 0.05
mL of a 2.5 g/L Microfeast PZ-20 suspension. The
feeding rate supplied approximately 0.1 mgC/adult
daphnid/day.
Mean test temperature was 20.6°C (S.D. = 0.2) and
diurnal light was approximately 16 hours light and
8 hours dark with 16 to 19 µE•m-2•s-1 during full
daylight periods. Dissolved oxygen ranged from 7.8
to 9.4 mg/L and pH ranged from 8.0 to 8.4 during
the study. Water hardness was 150 mg/L as CaCO3.
The TOC of the dilution water was 0.5127 ppm.
The analytical method used was static headspace
GC-FID (HS GC-FID). The methods practical
quantitation limit (PQL) is approximately 0.12
ng/mL (µg/L) and corresponds to the concentration
of the lowest analyzed analytical standard.

Results:
Units/Value: Effect Concentration (EC10 and EC50) based
on reproduction:
EC10 EC50
21 day 20.0 µg/L (16.2 µg/L*) 28.1 µg/L
(27.2 µg/L*)
* 95% Lower Confidence Interval

The LOEC was 28.7 µg/L, the highest concentration


tested. The NOEC was 19.4 µg/L. The LOEC and NOEC
are based on reproduction and growth. The NOEC
based on mortality was 28.7 µg/L, the highest
concentration tested.

The control daphnids released their first brood on


days 8 and 10. The coefficient of variation for
control fecundity was 8.7%.
The following are the endpoint results for the
control and exposure solutions.
Nominal Measured Adult Neonates Adult
Conc. Conc.** Mortality per Adult Avg.
Length
(µg/L) (µg/L) % (mm)
Control 0 0 153 5.8
10 5.91 10 151 5.6
16 8.74 10 155 5.8
25 12.8 10 138 5.6
40 19.4 0 140 5.6
60 28.7 10 68 5.2
** Average of new and old solutions (3 replicates
each) sampled on day 0 & 1, 7 & 8; 14 & 15, 20 &
21. The sample size for each concentration was n
= 24, except for the 5.91 µg/L concentration, the
sample size was n = 23. One sample was not used.
It was noted that the stock container outlet was
not purged, resulting in a spurious value. The
table below shows the new and old range of
concentrations.

476 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005

Nominal Measured Conc. Measured Conc.


Conc. new solutions old solutions
(µg/L) (µg/L) (µg/L)
Control 0 0
10 8.15 - 18.4 0.06†
16 13.6 - 24.0 0.06† - 0.126
25 21.3 - 30.2 0.06† - 0.160
40 30.6 - 48.2 0.06† - 0.211
60 44.5 - 68.0 0.06† - 0.477
† 1-decene not detected above Practical
Quantitation Limit (PQL= 0.12 µg/L). PQL X 0.5
(0.06 µg/L) used in place of < PQL.

The maximum water solubility of 1-decene under the


conditions used to generate the stock solution for
this study was approximately 210 µg/L.

Conclusion: The 1-decene Daphnia magna 21 day EC10 was 20.0


µg/L and the EC50 was 28.1 µg/L. Reproduction and
growth were more sensitive than survival, resulting
in an NOEC of 19.4 µg/L and an LOEC of 28.7 µg/L.

Flag: Key study for SIDS endpoint

Reliability: (1) Reliable without restriction.

Reference: ExxonMobil Biomedical Sciences, Inc. (2004).


Daphnia magna Reproduction Test with 1-DECENE.
Study # 180446. Performed at ExxonMobil Biomedical
Sciences, Inc. Annandale, NJ.

Other (source): Higher Olefins Panel, American Chemistry


Council

(2) Test Substance: CAS No. 25339-53-1, Decene

Method/Guideline:

Type (test type): 16-day EC50 value calculated using the computer
program ECOSAR, version 0.99g included in the EPI
Suite software, v 3.11 (EPIWIN, 2000b)

Species: Daphnia magna

Test Conditions: The program uses structure-activity relationships


(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular

UNEP PUBLICATIONS 477


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 5.12, which was estimated by EPIWIN using
the structure for 1-decene.

Results:

Units/Value: Estimated 16-day EC50 = 32 µg/L

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

(3) Test Substance: CAS No. 28761-27-5, Undecene (mixture of isomers)

Method/Guideline:

Type (test type): 16-day EC50 value calculated using the computer
program ECOSAR, version 0.99g included in the EPI
Suite software, v 3.11 (EPIWIN, 2000b)

Species: Daphnia magna

Test Conditions: The program uses structure-activity relationships


(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 5.53 for undecene estimated by EPIWIN
using the structure for 5-undecene.

Results:

Units/Value: Estimated 16-day EC50 for undecene = 18 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

(4) Test Substance: CAS No. 25378-22-7, Dodecene

478 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
Method/Guideline:

Type (test type): 16-day EC50 value calculated using the computer
program ECOSAR, version 0.99g included in the EPI
Suite software, v 3.11 (EPIWIN, 2000b)

Species: Daphnia magna

Test Conditions: The program uses structure-activity relationships


(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 6.10, which was estimated by EPIWIN using
the structure for 1-dodecene.

Results:

Units/Value: Estimated 16-day EC50 = 8 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

(5) Test Substance: CAS No. 25377-82-6, Tridecene

Method/Guideline:

Type (test type): 16-day EC50 value calculated using the computer
program ECOSAR, version 0.99g included in the EPI
Suite software, v 3.11 (EPIWIN, 2000b)

Species: Daphnia magna

Test Conditions: The program uses structure-activity relationships


(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used

UNEP PUBLICATIONS 479


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
for input into EPIWIN. The program used a Kow
value of 6.59, which was estimated by EPIWIN using
the structure for 1-tridecene.

Results:

Units/Value: Estimated 16-day EC50 = 4 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

4.6 Toxicity to Terrestrial Organisms

A. Toxicity to Terrestrial Plants.

(1) Test Substance: CAS No. 25339-53-1, Decene

Method/Guideline:

Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated


using the computer program ECOSAR, version 0.99g
included in the EPI Suite software, v 3.11
(EPIWIN, 2000b)

Species: Green algae

Test Conditions: The program uses structure-activity relationships


(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 5.12, which was estimated by EPIWIN
using the structure for 1-decene.

Results:

Units/Value: Estimated 96-hr ChV = 73 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.

480 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

(2) Test Substance: CAS No. 28761-27-5, Undecene (mixture of isomers)

Method/Guideline:

Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated


using the computer program ECOSAR, version 0.99g
included in the EPI Suite software, v 3.11
(EPIWIN, 2000b)

Species: Green algae

Test Conditions: The program uses structure-activity relationships


(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 5.53 for undecene estimated by EPIWIN
using the structure for 5-undecene.

Results:

Units/Value: Estimated 96-hr ChV for undecene = 44 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

(3) Test Substance: CAS No. 25378-22-7, Dodecene

Method/Guideline:

Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated


using the computer program ECOSAR, version 0.99g
included in the EPI Suite software, v 3.11
(EPIWIN, 2000b)

Species: Green algae

Test Conditions: The program uses structure-activity relationships


(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has

UNEP PUBLICATIONS 481


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 6.10, which was estimated by EPIWIN using
the structure for 1-dodecene.

Results:

Units/Value: Estimated 96-hr ChV = 21 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

(4) Test Substance: CAS No. 25377-82-6, Tridecene

Method/Guideline:

Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated


using the computer program ECOSAR, version 0.99g
included in the EPI Suite software, v 3.11
(EPIWIN, 2000b)

Species: Green algae

Test Conditions: The program uses structure-activity relationships


(SARs) to predict the aquatic toxicity of
chemicals based on their similarity of structure
to chemicals for which the aquatic toxicity has
been previously measured. The program uses
regression equations developed for chemical
classes using the measured aquatic toxicity values
and estimated Kow values. Toxicity values for new
chemicals are calculated by inserting the
estimated Kow into the regression equation and
correcting the resultant value for the molecular
weight of the compound. The CAS number was used
for input into EPIWIN. The program used a Kow
value of 6.59, which was estimated by EPIWIN using
the structure for 1-tridecene.

Results:

Units/Value: Estimated 96-hr ChV = 11 µg/L

Flag: Key study for SIDS endpoint

482 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
4. ECOTOXICITY ID: 85535-87-1
DATE: 28.04.2005
Reliability: (2) Reliable with restrictions. The result is
calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

B. Toxicity to Soil Dwelling Organisms.

No data available

C. Toxicity to Other Non Mammalian Terrestrial Species (including Avian)

No data available

4.7 Biological Effects Monitoring (including Biomagnification)

No data available

4.8 Biotransformation and Kinetics

No data available

UNEP PUBLICATIONS 483


OECD SIDS ALKENES, C10-13
5. TOXICITY ID: 85535-87-1
DATE: 28.04.2005
5.1 Toxicokinetics, Metabolism and Distribution

Test Substance: CAS No. 111-66-0, 1-Octene, >99%; CAS No. 124-11-8, 1-Nonene,
>99%; CAS No. 872-05-9, 1-Decene, >98% (tested individually)

Method Non-standard
Test Type in-vivo
GLP No data
Year No data

Method: Animals were exposed via inhalation to individual hydrocarbons


in 6 separate experiments with equal design except for the
choice of test substance. Animals were killed by decapitation,
and blood and organ samples were obtained within 3 minutes
after removal of an animal from the chamber. Food and water
were available ad libitum except during exposure. Dynamic
exposure of the animals was performed in 0.7 m3 steel
chambers. Temperature and humidity were kept within 23±1°C and
70±20% RH, respectively. The aimed concentration of 100 ppm
was maintained by mixing a controlled stream of air saturated
with the test substance under a constant temperature and flow
with the main stream of dust filtered air (5 m3/hr) before
entering at the top of the chamber. The concentration of
hydrocarbons in the chambers was monitored by on-line gas
chromatography at 15 minute intervals. The concentration of
hydrocarbons in tissues was determined by headspace gas
chromatography. Two ml of blood or organ homogenate (or 0.25 g
perirenal fat tissue) was equilibrated in 15 ml headspace
vials for 1 hr at 37 or 60 °C together with calibration
samples and blanks. 0.5 ml was taken from the headspace by
prewarmed gas tight syringe and injected into a Shimadzu GC 9A
gas chromatograph (FID). Separation was performed on a 2 m x
1/8” stainless steel column packed with GP 10% SP-2100 on
Supelcoport 100/120 mesh with nitrogen as carrier gas. In
blood, the calibration curves covered a range from 0.5 – 100
µmol/kg, in organs from 1 – 500 µmol/kg and in fat from 5 –
10000 µmol/kg. In blood and organs, the detection limits
generally were within the range from 0.1 to 1 µmol/kg; in fat
from 1 to 10 µmol/kg.

Test Conditions:

Species: Rat

Strain: Sprague-Dawley

Sex: Male

Age: No data

Bodyweight: 150 – 200 g at start of each experiment

Number of Animals: 4 per exposure

Route: Inhalation

Dose(s) used: 100 ppm for 3 days, 12 hr/day

Statistical Methods: None reported

484 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
5. TOXICITY ID: 85535-87-1
DATE: 28.04.2005
Actual Dose(s): For the 3 days exposure period, the mean chamber concentration
was 99.3 ppm

Body Fluids Sampled: Blood sampled at days 1, 2, and 3, immediately after


exposure and 12 hr after exposure on day 3

Tissues Sampled: Brain, liver, kidney, fat; sampled at days 1, 2, and 3,


immediately after exposure and 12 hr after exposure on day 3

Results: No systematic increase or decrease in biological


concentrations was observed during the exposure period except
for fat. With the exception for the kidney, the concentration
increased with increasing number of carbon atoms within each
structure group. The organ concentrations generally exceeded
blood by factors ranging from 3 to 10.The C9 and C10 1-alkenes
showed an increased accumulation in fat during the 3 days
exposure period, in contrast to the C8 1-alkene, where a
saturation seemed to occur. In fat, the concentrations of all
hydrocarbons were 4-20 times the concentrations found in other
organs. The 1-alkenes demonstrated high concentrations in fat
12 hr after exposure. After the recovery period, these
concentrations were 31, 46, and 66% for C8, C9 and C10 1-
alkenes, respectively, of the concentrations on day 3.

Concentrations of individual 1-alkenes after the third daily


12 hr exposure to 100 ppm and after 12 hr recovery (n=4)
1-Octene 1-Nonene 1-Decene
After After 12 After After 12 After After 12
third hr third hr third hr
exposure recovery exposure recovery exposure recovery
Blood 12.4 0.1 15.9 0.4 16.4 0.7
Brain 69.7 0.5 116.3 2.7 138.1 6.3
Liver 78.9 nd 130.4 1.1 192.8 4.0
Kidney 139.3 0.9 146.7 4.6 162.0 9.3
Fat 720 226 2068 953 2986 1971
a
All concentrations are in µmol/kg; nd = not detectable (limit of
detection varied between substances and organs: in blood and
organs generally within range from 0.1 – 1 µmol/kg; in fat from
5 – 10 µmol/kg)

Reliability: (1) Reliable without restrictions.

Reference: Zahlsen, K., I. Eide, A.M. Nilsen and O.G. Nilsen (1993)
Inhalation kinetics of C8-C10 1-alkenes and iso-alkanes in
the rat after repeated exposures. Pharmacology & Toxicology
73:163-168.

5.2 Acute Toxicity

A. Acute oral toxicity

(1) Test Substance: C10-13 Internal Olefins (Shop Olefins 103 PQ11),
linear

UNEP PUBLICATIONS 485


OECD SIDS ALKENES, C10-13
5. TOXICITY ID: 85535-87-1
DATE: 28.04.2005

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 =
37-47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method

Method/guideline: NA
Type (test type): LD50
GLP: Pre-GLP
Year: 1977
Species/Strain: Rat/Wistar
Sex: Males and females
No. of animals per
sex per dose: 4
Vehicle: none
Route of
administration: Oral gavage

Test Conditions: Male and female rats, aged approximately 12 weeks,


were used at each dose level (5 and 10 ml/kg).
The animals were weighed, fasted overnight and the
calculated dose of material administered by
intraesophagael intubation using a ball point
needle fitted to a syringe. After dosing food and
water were freely available throughout a 9 day
observation period.

Results:

Value: LD50 > 7740 mg/kg


Number of deaths
at each dose level: 1 at 10 ml/kg

Remarks: Animals showed no signs of toxic reaction during


the 9 day observation period. One female rat died
following a period of not eating and drinking and
loss of body weight. Under the conditions of this
study, C10-13 Alpha Olefins have a low order of
toxicity.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint

References: Shell Toxicology Laboratory, Tunstall (1977)


Toxicology of alpha olefins: Acute toxicity, skin
and eye irritancy and skin sensitizing potential
of alpha olefin 103 PQ 11 (unpublished report).

Other: This study was included in the dossiers for 1-


decene and 1-dodecene at SIAM 11. Additional
information has been added.

(2) Test Substance

Identity (purity): CAS No. 25377-82-6, Tridecene (100%),


NEODENE® 13 Internal Olefin

Method

486 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
5. TOXICITY ID: 85535-87-1
DATE: 28.04.2005

Method/guideline: TSCA Health Effects Test Guidelines, 40 CFR


798.1175, meeting OECD Guidelines, Section 401
Type (test type): LD50
GLP: Yes
Year: 1995
Species/Strain: Albino Rat / Crl:CD®BR
Sex: Males and females
No. of animals per
sex per dose: 5
Vehicle: NA
Route of
administration: Oral gastric intubation

Test Conditions: Single treatment dose level of 5000 mg/kg. Based


on specific gravity of 0.75 g/ml, the dose volume
was 6.67 ml/kg. Weight of young adult animals
ranged from 248 to 295 grams at initiation of
dosing.

Prior to dosage, food was withheld from the


animals for approximately 18-20 hours. Four hours
following exposure, food and water were made
available. The animals were observed for gross
effects and mortality at 1, 3, and 4 hours on
study day 0 and once daily thereafter for 14 days.
Body weights were obtained on study days –1, 0, 7,
and 14. Upon termination, all rats were
euthanized by carbon dioxide asphyxiation. The
major organ systems of the cranial, thoracic and
abdominal cavities were examined for all animals.

Results:

Value: LD50 > 5000 mg/kg


Number of deaths
at each dose level: None

Remarks: All animals survived to the scheduled necropsy.


All rats had yellow urogenital and/or ventral
abdominal staining on days 0 and/or 1. Various
hair loss on the urogenital, ventral abdominal
and/or hindlimb (right and/or left) areas was
noted for six animals. Three rats had dried red
material around the nose. There were no other
clinical findings. With the exception of hair
loss noted on the hindlimb(s), urogenital and/or
ventral abdominal areas from days 5 to 14, all
animals appeared normal by day 2. There were no
remarkable changes or differences observed in body
weights. At study termination (day 14), the
coagulating gland was absent in one male. This
absence was considered a congenital abnormality.
Various hair loss on the hindlimb(s) and/or
ventral abdominal areas was observed on four rats
at the scheduled necropsy. There were no other
gross necropsy findings for all examined tissues.

UNEP PUBLICATIONS 487


OECD SIDS ALKENES, C10-13
5. TOXICITY ID: 85535-87-1
DATE: 28.04.2005
Under the conditions of this study, tridecene has
a low order of toxicity.

Reliability: (1) Reliable without restrictions, comparable to


guideline study

Flag: Key study for SIDS endpoint

References: WIL Research Laboratories, Inc. (1995) Acute Oral


Toxicity Study of NEODENE®13 Internal Olefin in
Albino Rats; Performed for Shell Chemical Co.
(unpublished report).

B. Acute inhalation toxicity

Test Substance: C10-13 Internal Olefins (Shop Olefins 103), linear

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method

Method/guideline: 4-hr exposures in a dynamic exposure system.


Type (test type): LC50
GLP: No
Year: 1980
Species/Strain: Rat/Wistar
Sex: Males and females
No. of animals per
sex per dose: 5

Vehicle: None
Route of
administration: Inhalation (mist )

Test Conditions: One group of 10 rats each (5 males and 5 females,


approximately 10 weeks of age) was exposed for 4 hrs to a
saturated concentration of test substance (> 2.1 mg/L,
~305 ppm). Animals were observed for 14 days post-
exposure. Initial, 7 day and 14 day body weights were
recorded.

The animals were contained within 7 liter glass chambers


fitted with carriers to accommodate five animals each,
through which the test atmosphere was passed at a
minimal rate of 10 liters/minute.

The test atmosphere was generated by flash vaporization


of the test substance supplied to a heated flask by
means of a micro metering pump. The vapor was blended
with dilution air in a mixing flask, and the vapor/air
mixture was passed through an air cooled condenser and a
condensation trap to the inhalation chambers. Continuous
analysis of the atmosphere during exposure was
undertaken exposure using a heated total hydrocarbon
analyzer.

Results:

488 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
5. TOXICITY ID: 85535-87-1
DATE: 28.04.2005
Value: LC50 >2.1 mg/L (~305 ppm) (saturated
concentration) mist.
Number of deaths
at each dose level: None

Remarks: Some rats lachrymated and salivated during exposure, but


no other toxic signs were observed during the 14 day
observation period.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Blair, D., Sedgewick, A.E. (1980) The acute inhalation


toxicity of Olefins 103 PQ 11. Sittingbourne, Shell
Research Limited, TLGR.80.052 (unpublished report).

Other: This study was included in the dossier for 1-decene at


SIAM 11. Additional information has been added.

C. Acute dermal toxicity

(1) Test Substance: C10-13 Internal Olefins (Shop Olefins 103 PQ 11),
linear

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 =
37-47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method

Method/guideline: Noakes and Sanderson


Type (test type): LD50
GLP: Pre-GLP
Year: 1977
Species/Strain: Rat/ Wistar
Sex: Males and females
No. of animals
per sex per dose: 4

Vehicle: NA
Route of
administration: Dermal

Test Conditions: Groups of animals, aged 12-13 weeks, were exposed


to the test substance in single exposures to
concentrations of 1, 2, and 4 ml/kg. Undiluted
test material was applied to shorn dorso-lumbar
skin and bandaged into contact with the skin using
an impermeable dressing of aluminum foil and water
proof plaster. Following the 24-hour exposure
period, the dressings were removed and the
exposed area was sponged with tepid dilute
detergent solution to remove residue. Animals
were observed for gross signs of s toxicity daily
for 9 days.

Results:

UNEP PUBLICATIONS 489


OECD SIDS ALKENES, C10-13
5. TOXICITY ID: 85535-87-1
DATE: 28.04.2005
Value: LD50 > 3080 mg/kg
Number of deaths
at each dose level: 4 mortalities occurred in the female rats at
dose level 4 ml/kg; one each at day 6 and day 8, 2
at day 7.

Remarks: Rats showed no signs of toxic reactions, but those


that eventually died did not eat or drink and lost
body weight. On the basis of these figures, the
acute percutaneous LD50 was estimated to be
greater than 4 ml/kg (3080 mg/kg) in males and
between 2 and 4 ml/kg (between 1540 and 3080
mg/kg) in females.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Shell Toxicology Laboratory, Tunstall (1977)


Toxicology of alpha olefins: Acute toxicity, skin
and eye irritancy and skin sensitizing potential
of alpha olefin 103 PQ 11 (unpublished report).

(2) Test Substance

Identity (purity): CAS No. 25377-82-6, Tridecene (100%),


NEODENE®13 Internal Olefin
Method

Method/guideline: TSCA Health Effects Test Guidelines, 40 CFR


798.1111, meeting OECD Guidelines, Section 402
Type (test type): LD50 and No Observable Effect Level (NOEL)
GLP: Yes
Year: 1995
Species/Strain: Albino Rat / Crl:CD®BR
Sex: Males and females
No. of animals per
sex per dose: 5
Vehicle: NA
Route of
administration: Dermal

Test Conditions: One group of young adult male and female albino
rats was dermally administered single doses of
test substance at a dose level of 2000 mg/kg.
Based on a measured specific gravity of 0.75 g/ml,
the dose volume was 2.67 ml/kg. Individual body
weights were obtained just prior to dosing and on
study days 0, 7 and 14 post-dosing. Weights
ranged from 239 to 275 grams at initiation of
dosing. Undiluted test material was applied to
clipped, intact dorsal skin and covered
approximately 20% of the total body surface. The
test substance was held in contact with the skin
under semi-occlusive dressing consisting of gauze
bandaging that was secured with non-irritating
tape. Collars were applied and remained on the
rats for the duration of the exposure (24 hrs) to
prevent ingestion of the test substance. Upon
completion of the exposure period, the collars and

490 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
5. TOXICITY ID: 85535-87-1
DATE: 28.04.2005
bandages were removed and the application sites
were wiped with disposable paper towels moistened
with tepid water.

Animals were observed for mortality and systemic


toxicity at approximately 1.0, 3.0, and 4.0 hours
post-dose on study day 0 and twice daily (morning
and afternoon) thereafter for14 days. The
application sites were examined for erythema,
edema and other dermal findings beginning
approximately 30-60 minutes after bandage removal
and daily thereafter for 13 days. The rats were
clipped to facilitate dermal observations on study
days 7 and 14.

At termination, the rats were euthanized by carbon


dioxide asphyxiation. The major organ systems of
the cranial, thoracic and abdominal cavaties were
examined for all animals.

Results:

Value: LD50 > 2000 mg/kg


Number of deaths
at each dose level: There were no deaths during the study.

Remarks: Nine animals had dried red material around the


eye(s) and/or mouth and or/nose on the day of
dosing. Urogenital staining (described as wet or
dried yellow) was present for seven animals. Two
rats had soft stool. These findings were
considered unrelated to the test material, as they
are often noted for rats that have been
bandaged/collared. There were no other clinical
findings. All animals appeared normal by day 2
and throughout the remainder of the observation
period.

The test material induced very slight to slight


erythema and edema along with desquamation on all
rats. There were no other dermal findings. All
erythema and edema completely subsided by days 11
and 7, respectively. Desquamation persisted
through study termination (day 14) on two sites.

There were no remarkable changes or differences in


body weights. One male had a dilated renal pelvis
(right) at the scheduled necropsy. There were no
other gross necropsy findings for all examined
tissues.

The LD50 and the NOEL for systemic toxicity of


tridecene were found to be greater than 2000
mg/kg.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

UNEP PUBLICATIONS 491


OECD SIDS ALKENES, C10-13
5. TOXICITY ID: 85535-87-1
DATE: 28.04.2005
Reference: WIL Research Laboratories, Inc. (1995) Acute
Dermal Toxicity Study of NEODENE®13 Internal
Olefin in Albino Rats; Performed for Shell
Chemical Co. (unpublished report).

D. Acute toxicity, other routes

No data available

5.3 Corrosiveness/Irritation

A. Skin Irritation/Corrosion

(1) Test Substance: CAS No. 872-05-9, 1-Decene, 100%, NEODENE® 10


Alpha Olefin

Method: TSCA Health Effects Test Guidelines, 40 CFR


798.4470, meeting OECD Guidelines, Section 404

Test Type: in vivo


GLP: Yes
Year: 1995

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Male and female
Number of animals
per sex per dose: 3
Total dose: 0.5 ml
Vehicle: None
Exposure time period: 4 hrs
Grading scale: Draize

Method Remarks: A 0.5 ml quantity of undiluted test material was


applied onto a 1 inch by 1 inch gauze square. The
test material was applied in this manner to the
shaved dorsal skin at one intact site on each of
six rabbits and occluded with rubber dental dam
throughout the 4 hour exposure period. Severe
irritation persisted 72 hours following
application. All six animals were held for a Day
7 reading. The values for each rabbit were
totaled and averaged for erythema and eschar
formation at ½ to 1 hour, 24 hours, 48 hours, and
72 hours. The values for edema were evaluated at ½
to 1 hour, 24, 48, and 72 hours.

Results: There were no deaths during the study. By day 7


reading, all irritation had cleared in two animals,
while the remaining four animals exhibited slight
to severe irritation. The only change noted in the
coloration and/or texture of the skin was
desquamation. No evidence of corrosion (necrosis)
was found. The Draize Primary Dermal Irritation
Index (the mean of combined scores for erythema and

492 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
5. TOXICITY ID: 85535-87-1
DATE: 28.04.2005
edema at 1 hour, 24 hour, 48 hour and 72 hour) was
calculated to be 5.3.

Reliability: (1) Reliable without restrictions

Reference: Hilltop Biolabs, Inc. (1992) Primary Skin


Irritation Study in Rabbits; Performed for Shell
Oil Company (unpublished report).

(2) Test Substance: CAS No. 25377-82-6, Tridecene, 100%, NEODENE 13


Internal Olefin

Method: TSCA Health Effects Test Guidelines, 40 CFR


798.4470, meeting OECD Guidelines, Section 404

Test Type: in vivo


GLP: Yes
Year: 1995

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Male and female
Number of animals
per sex per dose: 3
Total dose: 0.5 ml
Vehicle: None
Exposure time period: 4 hrs
Grading scale: Draize

Method Remarks: At the start of the study, the young adult animals
weighed 3.35 to 3.99 kg. One-half ml undiluted
material was applied to the clipped, unabraded
skin on the backs of 6 rabbits, under occlusive
dressing. Each 0.5 milliliter dose was applied to
an area of skin approximately 1 inch by 1 inch
under a secured 2-ply gauze patch that was
overwrapped with a gauze binder, occluded with
plastic wrap and secured with Dermiform® tape.
Plastic restraint collars were applied and remained
on the animals for the duration of the exposure
period. Four hours after application, the collars
and bandages were removed and the sites wiped with
disposable paper towels moistened with deionized
water. The application sites were observed for
erythema, edema and other dermal findings
approximately 30-60 minutes and 24, 48, and 72
hours after patch removal and daily thereafter
through day 21 if irritation persisted. In order
to facilitate dermal observations, the application
sites were clipped free of hair approximately one
hour prior to collecting the 72 hour, day 10 and
day 21 dermal scores.

Results: There were no deaths and no remarkable body weight


changes during the study. The test material induced
slight to moderate erythema and edema along with

UNEP PUBLICATIONS 493


OECD SIDS ALKENES, C10-13
5. TOXICITY ID: 85535-87-1
DATE: 28.04.2005
desquamation on all animals. All edema completely
subsided by day 19 or earlier. There were no other
dermal findings. Very slight to moderate erythema
and desquamation persisted through day 21
(termination) for five and four of the six rabbits,
respectively.

The Draize Primary Dermal Irritation Index (the


mean of combined scores for erythema and edema at 1
hour, 24 hour, 48 hour and 72 hour) was calculated
to be 3.5.

Reliability: (1) Reliable without restrictions

Reference: WIL Research Laboratories, Inc. (1995) Primary


Dermal Irritation Study of NEODENE®13 Internal
Olefin in Albino Rabbits; Performed for Shell
Chemical Co. (unpublished report).

B. Eye Irritation/Corrosion

Test Substance: C10-13 Internal Olefins (Shop Olefins 103 PQ 11),


linear

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

pH: Not applicable

Method:
Test Type: in vivo
GLP: No
Year: 1977

Test Conditions

Species: Albino rabbits


Strain: New Zealand White
Number of animals
per dose: 4

Dose(s) used: 0.2 ml


Vehicle: None
Observation period: 7 days

Remarks: The conjuctival redness chemosis and discharge, corneal


opacity and damage to the iris following the instillation
of 0.2 ml undiluted olefin into the conjuctival sac of
four rabbit eyes was scored using standard Draize scales.

Results: Animals were observed within 1-2 hours, after 1, 2, 3,


and 7 days of application. Mean Draize score was 1.0
(out of 110) at 1 hour after exposure, 0.9 for day 1,
0.1 for day 2, and 0 at other points.

Reliability: (1) Reliable without restrictions

Reference: Cassidy, S.L., Clark, D.G. (1977) Toxicology of alpha


olefins: Acute toxicity, skin and eye irritancy and

494 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
5. TOXICITY ID: 85535-87-1
DATE: 28.04.2005
skin sensitizing potential of alpha olefin 103 PQ 11.
Sittingbourne, Shell Research Limited, TLGR.0.171.77
(unpublished report).

5.4 Skin Sensitisation

Test Substance: C10-13 Alpha Olefins

Remarks: Blend of CAS No. 872-05-9 (C10 = 11.2%); CAS No. 821-95-4 (C11
= 30%); CAS No. 112-41-4 (C12 = 26%); CAS No. 2437-56-1 (C13 =
23.6%); (C14 = 9.5%)

Method: Magnusson and Kligman


Test Type: challenge
GLP: No
Year: 1977

Test Conditions

Species: Guinea pig


Strain: P strain
Sex: Male and female
Number of animals
per sex per dose: 10 in test group; 5 each in control group

Route of
administration: Injection and Topical

Intradermal
Induction conc.: 0.05%
Induction vehicle: corn oil
Topical
Induction conc.: 1.5%
Induction vehicle: corn oil
Challenge conc.: 10%
Challenge vehicle: corn oil

Method remarks: A preliminary screen was carried out using groups of 2 male
and 2 female guinea pigs to determine the concentrations of
test material to be used for intradermal induction, topical
induction and topical challenge.

Induction was accomplished in 2 stages, intradermal injection


and a topical application. Two rows of 3 injections were
made: 2 of 0.1 ml Freund’s complete adjuvant (FCA), 2 of 0.1
ml test material in solvent (solvent), and 2 of 0.1 ml test
material in 50:50 FCA/solvent. The injection sites were just
within the boundary of a 4x4 cm shaved area.

One week after the intradermal injections the same area was
clipped. A 4x4 cm patch of Whatman No. 3 filter paper was
soaked in a solution of the test material, placed over the
injection sites of the experimental animals and covered by
overlapping plastic adhesive tape (Blendaderm). This was
secured with elastic adhesive bandage (Poroplast). The
dressing was left in place for 48 hours.

The challenge procedure was carried out 2 weeks after topical


induction. Challenge was accomplished by topical application
of the challenge solution of the test material to the flank of
both test and control groups of animals. 3x3 cm area on the

UNEP PUBLICATIONS 495


OECD SIDS ALKENES, C10-13
5. TOXICITY ID: 85535-87-1
DATE: 28.04.2005
flank was clipped and shaved. A 2.5x2.5 cm patch of Whatman
No. 3 filter paper was soaked in a solution of the test
material, placed over the injection sites of the experimental
animals and covered by overlapping plastic adhesive tape
(Blendaderm). This was secured with elastic adhesive bandage
(Poroplast). The dressing was left in place for 24 hours.
Examination of the challenge site was immediately, 24 and 48
hours after removal of the dressing.

Results: Negative for sensitization

Results Remarks: Number of animals with skin reaction at challenge: 0/10


Number of animals with skin reaction in control group at
challenge: 0/10.

Reliability: (1) Reliable without restrictions

Reference: Cassidy, S.L., Clark, D.G. (1977) Toxicology of alpha olefins:


Acute toxicity, skin and eye irritancy and skin sensitizing
potential of alpha olefin 103 PQ 11. Sittingbourne, Shell
Research Limited, TLGR.0.171.77 (unpublished report).

5.5 Repeated Dose Toxicity

No data available

5.6 Genetic Toxicity in vitro

A. Gene Mutation

Test Substance: C10-13 Internal Olefins (Shop Olefins 103), linear

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method

Method/guideline:
Type: in-vitro bacterial reverse mutation – Ames Assay
System of testing: bacterial
GLP: No
Year: 1983
Species/Strain: Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538, and Escherichia coli WP2 or WP2 uvrA
Metabolic activation: With and without S9 fraction from induced rat
livers
Concentrations tested: 31.25, 62.5, 125, 250, 500, 1000, 2000 and 4000
µg/plate
Statistical Methods: The mean and SD of the colony counts from cultures
derived from each flask were computed by standard
methods.

Test Conditions: 20 µl volumes of solutions of Olefin 103 PQ/11 in


ethanol/Tween 80 (1.5625, 3.125. 6.25. 12.5, 50, 100
mg/ml) or 40 ul of 100 mg/ml were added to top agar mix
to give final solutions of 31.25, 62.5, 125, 250, 500,
1000, 2000 and 4000 µg/plate both in the presence and in

496 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
5. TOXICITY ID: 85535-87-1
DATE: 28.04.2005
the absence of rat liver S9 fractions. The cultures
were incubated at 37oC for 48-72 hours before the
revertant colonies were counted. The activity of the S9
mix and the sensitivities of the strains TA1538, TA98
and TA100 were monitored by treating cultures with a
known positive control compound, benzo (a) pyrene, with
requires metabolic activation before it is able to
induce gene mutation. The sensitivity of TA1537 was
monitored by the indirect mutagen, neutral red; the
sensitivities of E. coli WP2 or WP2 uvrA pkm 101 and
TA1535 were monitored by testing with the direct-acting
mutagens, potassium dichromate or sodium azide,
respectively.

Results

Cytotoxic conc.: No cytotoxicity observed


Genotoxic effects: Negative with and without metabolic activation

Remarks: The test material did not lead to an increase in reverse


mutation frequency in any strain. No visible
precipitation of the test compound was observed in the
top agar overlay. Microscopic examination of the
background lawn in the plate incorporation assay showed
no reduction in growth in any of the strains tested.
All positive and negative controls responded in a manner
consistent with data from previous assays. The addition
of Olefin 103 PQ/11 at amount up to 4000 µg per plate to
agar layer cultures of Salmonella typhimurium TA98,
TA100, TA1535, TA1537, TA1538, and Escherichia coli WP2
or WP2 uvrA did not lead to an increase in the reverse
gene mutation frequency in any of the strains either in
the presence or absence of rat liver S9 fractions.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint.

References: Brooks, TM, Clare, MG, Wiggins, DE (1983) Toxicity


studies with detergents: Genotoxicity studies with
Olefin 103 PQ/11 (Cracked Urea Wax Olefin). Shell
Research Limited, SBGR.83.299 (unpublished report).

B. Chromosomal Aberration

Test Substance: C10-13 Internal Olefins (Shop Olefins 103), linear

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method

Method/guideline:
Type: in-vitro rat liver cell chromosome aberration assay
System of testing: non-bacterial
GLP: No
Year: 1983
Type of cell used: Rat liver RL1 cells
Metabolic activation: No

UNEP PUBLICATIONS 497


OECD SIDS ALKENES, C10-13
5. TOXICITY ID: 85535-87-1
DATE: 28.04.2005
Concentrations tested: up to 500 µg/ml
Statistical Methods:

Test Conditions: The range of concentrations of the test compound to be


used to assess the cloning efficiency was determined
from the results of the initial assay. For each
concentration, including the solvent control, three 9 cm
diameter Petri dishes were used. Five hundred RL4 cells
were added to each dish and cells were incubated in 10
ml tissue culture medium at 37oC in a humidified
atmosphere containing 5% CO2. Twenty-four hours after
adding the cells, the medium was replaced with medium
containing the compound or solvent, which was replaced
with fresh medium after 24 hours exposure. Five days
later the cells were fixed and stained. Colonies
containing at least 50 cells were counted. The
concentration of the test compound that reduced the
number of colonies to an average of approximately 50% of
those on the dishes exposed to solvent only was used as
the highest concentration in the chromosome assay.

Results

Cytotoxic conc.: No cytotoxicity observed


Genotoxic effects: Negative

Remarks: There was no significant increase in the frequency of


chromatid gaps, chromatid breaks or total chromatid
aberrations in rat liver (RL4) cell cultures exposed to
Olefin 103 PQ/11 at concentrations up to 25 ug per ml.
All positive and negative controls responded in a manner
consistent with data from previous assays.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Dean, B.J. (1980) Toxicity studies with detergent


intermediates: In vitro genotoxicity studies with Shop
process components. Shell Research Limited, TLGR.80.074
(unpublished report).

5.7 Genetic Toxicity in vivo

No data available

5.8 Carcinogenicity

No data available

5.9 Reproductive Toxicity (including Fertility and Developmental Toxicity).

A. Fertility

No data available

498 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
5. TOXICITY ID: 85535-87-1
DATE: 28.04.2005
B. Developmental Toxicity

No data available

5.10 Other Relevant Information

Aspiration

Test Substance

Identity: C6-C18 even numbered alpha olefins

Method

Type: General toxicity – aspiration


Species: Rat
Strain: Wistar
Sex: Male
Route of
Administration: aspiration
Dose: 0.2 mL

Results: See Remarks

Remarks: C6-C18 alkenes (even carbon numbers, alpha olefins), source


and purity unspecified, were assessed for aspiration hazard in
an animal study using Wistar rats. Four or five males were
used per test article. Two-tenths mL of the test material was
placed in the mouths of rats that had been anesthetized to the
point of apnea in a covered wide mouth gallon jar containing
about 1 inch of wood shavings moistened with approximately 1
ounce of anhydrous diethyl ether. As the animals began to
breathe again, the nostrils were held until the test material
had been aspirated or the animal regained consciousness. All
alkenes tested except 1- hexene were aspirated into the lungs.
1-Hexene was difficult to dose because of its volatility. Two
animals survived because the hydrocarbon “boiled” out of the
mouth before it was aspirated. All animals exposed to C8 to C14
died within 24 hours. With C16 and C18, there was only one
death (C18). Lung weights were increased in alkenes-treated
animals compared with controls. The affected animals showed
chemical pneumonitis. The report concluded that there is a
significant aspiration hazard with C6 to C14 alkenes.

Reference: Gerarde, H.W. (1963) Toxicological Studies on Hydrocarbons.


Archives of Environmental Health 6:329-341.

Other: This study was included in the dossier for 1-decene at SIAM
11. Additional information has been added.

5.11 Experience with Human Exposure

No data available

UNEP PUBLICATIONS 499


OECD SIDS ALKENES, C10-13
6. REFERENCES ID: 85535-87-1
DATE: 28.04.2005
American Chemistry Council’s Higher Olefins Panel (2002) Personal communication.

Blair, D., Sedgewick, A.E. (1980) The acute inhalation toxicity of Olefins 103
PQ 11. Sittingbourne, Shell Research Limited, TLGR.80.052 (unpublished
report).

Brooks, TM, Clare, MG, Wiggins, DE (1983) Toxicity studies with detergents:
Genotoxicity studies with Olefin 103 PQ/11 (Cracked Urea Wax Olefin). Shell
Research Limited, SBGR.83.299 (unpublished report).

Cassidy, S.L., Clark, D.G. (1977) Toxicology of alpha olefins: Acute toxicity,
skin and eye irritancy and skin sensitizing potential of alpha olefin 103 PQ 11.
Sittingbourne, Shell Research Limited, TLGR.0.171.77 (unpublished report).

Dean, B.J. (1980) Toxicity studies with detergent intermediates: In vitro


genotoxicity studies with Shop process components. Shell Research Limited,
TLGR.80.074 (unpublished report).

Enichem Augusta Industrials, Milan

Enichem Augusta Industrials, Milan, as cited in IUCLID

ENICHEM, Environmental partitioning model: a computer program prepared by


Garlanda T and Mascero Garlanda M. (1990).

Exxon Biomedical Sciences, Inc. (1996) Fish, Acute Toxicity Test. Study
#119258. Exxon Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished
report).

Exxon Biomedical Sciences, Inc. (1997) Ready Biodegradability: OECD 301F


Manometric Respirometry. Study #119294A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).

Gerarde, H.W. (1963) Toxicological Studies on Hydrocarbons. Archives of


Environmental Health 6:329-341.

Gould, E.S. (1959) Mechanism and Structure in Organic Chemistry,

Holt, Reinhart and Winston, New York, NY, USA.

Hansch C. and A. Leo (1979) Substituent constants for correlation analysis in


chemistry and biology, Wiley, New York.

Harris J C (1982a). Rate of Aqueous Photolysis. Chapter 8 in: W. J. Lyman, W. F.


Reehl, and D. H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, USA

Harris, J.C. (1982b) Rate of Hydrolysis, Chapter 7 in: W.J. Lyman, W.F. Reehl,
and D.H. Rosenblatt, eds., Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.

Hilltop Biolabs, Inc. (1992) Primary Skin Irritation Study in Rabbits; Performed
for Shell Oil Company (unpublished report).

MacKay, D. (1991) Multimedia Environmental Models: The Fugacity Approach.


Lewis Publishers Inc. Chelsea Michigan USA.

Miller RC, Watkinson RJ. (1984). Olefins 103 PQ 11: An Assessment of Ready
Biodegradability. Shell Research Limited, Sittingbourne Research Center
(unpublished report).

Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G. E. Blau, eds.


Environmental Exposure from Chemicals. Vol I., pp. 157-173. CRC Press, Boca
Raton, FL, USA.

500 UNEP PUBLICATIONS


OECD SIDS ALKENES, C10-13
6. REFERENCES ID: 85535-87-1
DATE: 28.04.2005
NLM (2003). TRI (Toxic Release Inventory). U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September 2003 (http://toxnet.nlm.nih.gov).

Shell Chemicals UK Ltd, Chester as cited in IUCLID

Shell Chemicals UK Ltd., Chester

Shell Research Limited (1984) Olefins 103 PQ 11: Acute toxicity to Salmo
gairdneri, Daphnia magna and Selenastrum capricornutum. Sittingbourne Research
Centre, SBGR.83.359 (unpublished report).

Shell Research Limited (1985) SHOP Olefins 103: Acute toxicity ( Salmo
gairdneri, Daphnia magna and Selenastrum capricornutum) and n-octanol/water
partition coefficient. Sittingbourne Research Centre, SBGR.85.182 (unpublished
report).

Shell Toxicology Laboratory, Tunstall (1977) Toxicology of alpha olefins: Acute


toxicity, skin and eye irritancy and skin sensitizing potential of alpha olefin
103 PQ 11 (unpublished report).

Turner, S.J., Watkinson, R.J., (1985) Shop Olefins 103: An assessment of Ready
Biodegradability, Sittingbourne, Shell Research Limited, SBGR.85.106
(unpublished report).

Trent University (2004). Level I Fugacity-based Environmental Equilibrium


Partitioning Model (Version 3.00) and Level III Fugacity-based Multimedia
Environmental Model (Version 2.80.1. Environmental Modeling Centre, Trent
University, Peterborough, Ontario. (Available at http://www.trentu.ca/cemc)

WIL Research Laboratories, Inc. (1995) Acute Dermal Toxicity Study of NEODENE®13
Internal Olefin in Albino Rats; Performed for Shell Chemical Co. (unpublished
report).

WIL Research Laboratories, Inc. (1995) Acute Oral Toxicity Study of NEODENE®13
Internal Olefin in Albino Rats; Performed for Shell Chemical Co. (unpublished
report).

WIL Research Laboratories, Inc. (1995) Primary Dermal Irritation Study of


NEODENE®13 Internal Olefin in Albino Rabbits; Performed for Shell Chemical Co.
(unpublished report).

Zahlsen, K., I. Eide, A.M. Nilsen and O.G. Nilsen (1993) Inhalation kinetics of
C8-C10 1-alkenes and iso-alkanes in the rat after repeated exposures.
Pharmacology & Toxicology 73:163-168.

Zepp, R. G. and D. M. Cline (1977). Rates of Direct Photolysis in the Aqueous


Environment, Environ. Sci. Technol., 11:359-366.

UNEP PUBLICATIONS 501


OECD SIDS DODECENE

SIDS DOSSIER
ON THE HPV CHEMICAL

DODECENE

CAS No.: 25378-22-7


Contains Robust Summaries for the Following Substances:

CAS No. 25378-22-7, Dodecene


CAS No. 112-41-4, 1-Dodecene
CAS No. 68526-58-9; Alkenes, C11-13, C12-Rich
CAS No. 68526-58-9; Alkenes, C12-14, C13-Rich
CAS No. 85535-87-1, Alkenes C10-13
C10-13 Alpha olefins
C10-13 Internal olefins (SHOP Olefins 103PQ11/Olefins 103 PQ11/SHOP Olefins 103)
C12-16 Alpha Olefin Fraction (GULFTENE 12-16)

Sponsor Country: USA

Date of submission to OECD: April 28, 2005

502 UNEP PUBLICATIONS


OECD SIDS DODECENE
1. GENERAL INFORMATION ID: 25378-22-7
DATE: 28.04.2005
Substance Information

A. CAS Number: 25378-22-7

B. Name (OECD): Dodecene

C. Name (IUPAC): Dodecene

D. CAS Descriptor: Not applicable

E. EINECS Number: 246-922-9 (dodecene)

F. Molecular Formula: C12 H24

G. Structural Formula: Various linear or branched isomers with internal


double bonds with the basic structure of CH3-
CH=CH-(CH2)8-CH3

Sponsor Country: United States of America

Lead Organisation:

Name of Lead Organisation: United States of America Environmental


Protection Agency
Contact person: Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
Address:
• Street: 1200 Pennsylvania Avenue, NW
• Postal code: 20460
• Town: Washington, D.C. 20460
• Country: United States of America
• Tel: (202) 564-7461

C. Name of Responder (Industry Consortium):

Name: American Chemistry Council (Higher Olefins Panel)


Contact: Mr. W. D. Anderson, Higher Olefins Panel Manager
Address:
• Street: 1300 Wilson Boulevard
• Postal code: 22209
• Town: Arlington, VA
• Country: United States of America
• Tel: (703)741-5616
• Fax: (703) 741-6091

Details on Chemical Category

This profile includes an evaluation of SIDS-level testing data, using a category


approach, with six individual internal olefins (C6 – C10 and C12), a C10 – 13
internal olefins blend and two linear alpha olefins (1-hexadecene and 1-
octadecene), all of which are monoolefins. The internal olefins are
predominantly linear, but may contain small amounts of branched materials. For
the purposes of the ICCA HPV Program, the category was defined as “Higher
Olefins.” The category designation was based on the belief that, within the C6

UNEP PUBLICATIONS 503


OECD SIDS DODECENE
1. GENERAL INFORMATION ID: 25378-22-7
DATE: 28.04.2005
to C18 boundaries identified, internalizing the location of the carbon-carbon
double bond, increasing the length of the carbon chain, and/or changing the
carbon skeleton’s structure from linear to branched does not change the toxicity
profile, or changes the profile in a consistent pattern from lower to higher
carbon numbers. This expectation is supported by a large amount of existing data
for alpha and internal olefins with carbon numbers ranging from C6 to C24. The
members of the category are:

Hexene CAS # 25264-93-1

Heptene CAS # 25339-56-4

Octene CAS # 25377-83-7

Nonene CAS # 27215-95-8

Decene CAS # 25339-53-1

Dodecene CAS # 25378-22-7

Alkenes, C10-C13 CAS# 85535-87-1

1-Hexadecene CAS # 629-73-2

1-Octadecene CAS # 112-88-9

1.1 General Substance Information

A. Type of Substance

Element [ ]; Inorganic [ ]; Natural substance [ ]; Organic [X ];


Organometallic [ ];
Petroleum product [ ]

B. Physical State (at 20°C and 1.013 hPa)

Gaseous [ ]; Liquid [X ]; Solid [ ]

C. Purity:

Remark: This substance is manufactured and marketed as a component of


a blend.

1.2 Impurities:

1.3 Additives

None

1.4 Synonyms

Some synonyms are: Dodecylene

1.5 Quantity

Remarks: A Chemical Economics Handbook marketing report indicated that 2000


global production for dodecene was approximately 695 million pounds

504 UNEP PUBLICATIONS


OECD SIDS DODECENE
1. GENERAL INFORMATION ID: 25378-22-7
DATE: 28.04.2005
(315,000 metric tons) with the United States accounting for 47%
(SRI, 2001). U.S. production volume for dodecene in 2002 provided by
the members of the American Chemistry Council’s Higher Olefins Panel
was 1-10 million pounds.

Reference: American Chemistry Council’s Higher Olefins Panel (2002)

1.6 Use Pattern

A. General Use Pattern

Type of Use: Category:

(a)Main Use in closed systems


Industrial Chemical industry – chemicals used in synthesis
Use Intermediate

Remarks: Intermediate in the manufacture of


polyalphaolefins and other additives for
lubricants, detergent alcohols, amine oxides and
amines

(b)Main Non-dispersive use


Industrial Chemical industry – chemicals used in synthesis
Use Intermediate

Remarks: Intermediate in the manufacture of


polyalphaolefins and other additives for
lubricants, detergent alcohols, amine oxides and
amines

Reference: American Chemistry Council’s Higher Olefins Panel

B. Uses In Consumer Products

Not applicable

1.7 Sources of Exposure

Source:

Remarks: This product is produced commercially in closed systems and is used


primarily as an intermediate in the production of other chemicals.
No non-intermediate applications have been identified. Any
occupational exposures that do occur are most likely by the
inhalation and dermal routes. It is a common practice to use
personal protective equipment. In the case of dermal exposures,
protective gloves would be worn due to the mildly irritating
properties of this class of chemicals (ACC Higher Olefins Panel).
Results from modelled data suggest that on-site waste treatment
processes are expected to remove this substance from aqueous waste
streams to the extent that it will not be readily detectable in
effluent discharge (EPIWIN, 2000b). This substance is not on the US
Toxic Release Inventory (TRI) list (NLM, 2003). This olefin will not
persist in the environment because it can be rapidly degraded
through biotic and abiotic processes.

Reference: American Chemistry Council’s Higher Olefins Panel

UNEP PUBLICATIONS 505


OECD SIDS DODECENE
1. GENERAL INFORMATION ID: 25378-22-7
DATE: 28.04.2005

1.8 Additional Information

A. Classification and Labelling

Classification

Type: as in Directive 67/548/EEC


Category of danger: Harmful, Irritant, Dangerous to the environment
R-phrases: (38) Irritating to skin
(51/53) Toxic to aquatic organisms and may cause
long-term adverse
effects in the aquatic environment
(65) Harmful: may cause lung damage if swallowed

Labelling

Type: as in Directive 67/548/EEC


Specific limits: no
Symbols: Xn, N
Nota:
R-phrases: (38) Irritating to skin
(51/53) Toxic to aquatic organisms and may cause long-
term adverse effects in the aquatic environment
(65) Harmful: may cause lung damage if swallowed

S-phrases: (24) Avoid contact with skin


(29) Do not empty into drains
(33) Take precautionary measures against static
discharges
(61) Avoid release to the environment
(S62) If swallowed, do not induce vomiting: seek medical
advice immediately and show this container or label

B. Occupational Exposure Limits

Exposure Limit Value

Type: None available


Value:

Short Term Exposure Limit Value

Value: None available


Length of
exposure period:
Frequency:

C. Options For Disposal

Remarks: Incineration, diversion to other hydrocarbon uses

D. Last Literature Search

Type of search: Internal and external


Date of search: October 2003

506 UNEP PUBLICATIONS


OECD SIDS DODECENE
1. GENERAL INFORMATION ID: 25378-22-7
DATE: 28.04.2005
Remark: Medline
IUCLID
TSCATS
ChemIDplus
AQUIRE - ECOTOX

E. Other Remarks

UNEP PUBLICATIONS 507


OECD SIDS DODECENE
2. PHYSICO-CHEMICAL DATA ID: 25378-22-7
DATE: 28.04.2005
2.1 Melting Point

A. Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method/
guideline followed: No data
GLP: No data
Year: No data

Test Conditions: No data

Results

Melting point
value in °C: -35.2°C

Reliability: (2) Reliable with restrictions: The result is measured


data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

References: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

B. Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
version 3.10
GLP: Not applicable
Year: Not applicable

Test Conditions: Melting Point is calculated by the MPBPWIN subroutine,


which is based on the average results of the methods of
K. Joback, and Gold and Ogle, and chemical structure.
Joback's Method is described in Joback, (1982). The Gold
and Ogle Method simply uses the formula Tm = 0.5839Tb,
where Tm is the melting point in Kelvin and Tb is the
boiling point in Kelvin. Program used the structure for
1-dodecene.

Results
Melting point
value in °C: -22.16°C

Reliability: (2) Reliable with restrictions. The result is


calculated data based on chemical structure as modeled
by EPIWIN.

508 UNEP PUBLICATIONS


OECD SIDS DODECENE
2. PHYSICO-CHEMICAL DATA ID: 25378-22-7
DATE: 28.04.2005
References: Joback, K.G. 1982. A Unified Approach to Physical
Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

2.2 Boiling Point

A. Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method/
guideline followed: No data
GLP: No data
Year: No data

Test Conditions: No data

Results

Boiling point
value in °C: 213.8°C
Pressure: 1013
Pressure unit: hPa

Reliability: (2) Reliable with restrictions. The result is measured


data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

References: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

B. Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
GLP: Not applicable
Year: Not applicable

Test Conditions: Boiling Point is calculated by the MPBPWIN subroutine,


which is based on the method of Stein and Brown (1994).
Program used the structure for 1-dodecene.

UNEP PUBLICATIONS 509


OECD SIDS DODECENE
2. PHYSICO-CHEMICAL DATA ID: 25378-22-7
DATE: 28.04.2005

Results

Boiling point
value in °C: 204.24°C
Pressure: 1013
Pressure unit: hPa

Reliability: (2) Reliable with restrictions. The result is


calculated data based on chemical structure as modeled
by EPIWIN.

References: Stein, S. and R. Brown (1994) Estimation of normal


boiling points from group contributions, J. Chem. Inf.
Comput. Sci. 34: 581-587.
EPIWIN (2000a) Estimation Program Interface for Windows,
version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

2.3 Density (Relative Density)

Test Substance

Identity: CAS No. 6842-15-5, Dodecene

Method

Method: No data
GLP: No data

Test Conditions: No data

Results

Type: specific gravity


Value: 0.77
Temperature (°C): 20°C

Reliability: (2) Reliable with restrictions. Reliable secondary


source. These data were not reviewed for quality.

Reference: U.S. Coast Guard Department of Transportation. CHRIS –


Chemical Hazards Response Information System Washington,
DC, information last updated 2002, website:
http://www.chrismanual.com/default.htm.

2.4 Vapour Pressure

A. Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
GLP: Not applicable

510 UNEP PUBLICATIONS


OECD SIDS DODECENE
2. PHYSICO-CHEMICAL DATA ID: 25378-22-7
DATE: 28.04.2005
Year:

Test Conditions: Vapor Pressure is calculated by the MPBPWIN subroutine,


which is based on the average result of the methods of
Antoine and Grain. Both methods use boiling point for
the calculation. The Antoine Method is described by
Lyman et al., 1990. A modified Grain Method is
described by Neely and Blau, 1985. The calculation used
an experimental value for BP of 213.8 °C from the EPIWIN
database.

Results

Vapor Pressure
Value: 0.356 hPa
Temperature: 25°C
Remarks: Reported as 0.267 mm Hg (25°C)

Reliability: (2) Reliable with restrictions. The result is


calculated data as modeled by EPIWIN.

Flag: Key study for SIDS endpoint

References: Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds.


(1990) Handbook of Chemical Property Estimation. Chapter
14. Washington, D.C.: American Chemical Society.

Neely and Blau (1985) Environmental Exposure from


Chemicals, Volume 1, p. 31, CRC Press.

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

B. Test Substance

Identity: CAS No. 112-41-4, 1-Dodecene

Method

Method/
guideline followed: No data
GLP: No data
Year: No data

Test Conditions: No data

Results
Vapor Pressure
Value: 0.212 hPa
Temperature: 25°C
Remarks: Reported as 0.159 mm Hg (25°C)

Reliability: (2) Reliable with restrictions. The result is


experimental data as cited in EPIWIN.

Flag: Key study for SIDS endpoint

UNEP PUBLICATIONS 511


OECD SIDS DODECENE
2. PHYSICO-CHEMICAL DATA ID: 25378-22-7
DATE: 28.04.2005
References: Daubert, T.E. and R.P. Danner (1989) Physical and
Thermodynamic Properties of Pure Chemicals: Data
Compilation; Design Institute for Physical Property
Data, American Institute of Chemical Engineers.
Hemisphere Pub. Corp., New York, NY; EPIWIN (2000a)
Estimation Program Interface for Windows, version 3.10.
Syracuse Research Corporation, Syracuse, NY. USA.

2.5 Partition Coefficient (log10Kow)

Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method: Calculated value using the computer program EPIWIN


version 3.10, subroutine KOWWIN v 1.66
GLP: Not applicable
Year: Not applicable
Test Conditions: Octanol / Water Partition Coefficient is calculated by
the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995). EPIWIN used structure for 1-dodecene.

Results

Log Kow: 6.10


Temperature (°C ): Not applicable

Reliability: (2) Reliable with restrictions. The result was


calculated based on chemical structure as modeled by
EIPWIN.

Flag: Key study for SIDS endpoint

Reference: Meylan, W. and P. Howard (1995) Atom/fragment


contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

2.6.1 Water Solubility (including *Dissociation Constant).

A. Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
3.11, subroutine WSKOW v 1.41
GLP: Not applicable
Year: Not applicable

512 UNEP PUBLICATIONS


OECD SIDS DODECENE
2. PHYSICO-CHEMICAL DATA ID: 25378-22-7
DATE: 28.04.2005

Test Conditions: Water Solubility is calculated by the WSKOW


subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996.
Estimated (EPIWIN) Log Kow value of 6.10 used for
calculation. EPIWIN used alpha structure to
calculate Log Kow. Measured melting point of -35.2
°C used.

Results

Value(mg/L) at
temperature ( °C): 0.1245 mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result is a


calculated value.

Flag: Key study for SIDS endpoint

References: Meylan, W., P. Howard and R. Boethling (1996)


Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.

EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

B. Test Substance

Identity: 2- Dodecene

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
3.10, subroutine WSKOW v 1.40
GLP: Not applicable
Year: Not applicable

Test Conditions: Water Solubility is calculated by the WSKOW


subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996.
Estimated (EPIWIN) Log Kow value of 6.02 used for
calculation. Default values used for calculation

Results

Value(mg/L) at
temperature ( °C): 0.1315 mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result is a


calculated value.

References: Meylan, W., P. Howard and R. Boethling (1996)


Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.

UNEP PUBLICATIONS 513


OECD SIDS DODECENE
2. PHYSICO-CHEMICAL DATA ID: 25378-22-7
DATE: 28.04.2005
EPIWIN (2000a). Estimation Program Interface for
Windows, version 3.10. Syracuse Research
Corporation, Syracuse, NY. USA.

C. Test Substance

Identity: CAS No. 112-41-4, 1-Dodecene

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
3.10, subroutine WSKOW v 1.40
GLP: Not applicable
Year: Not applicable

Test Conditions: Water Solubility is calculated by the WSKOW


subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996.
Estimated (EPIWIN) Log Kow value of 6.10 used for
calculation. Default values used for calculation.

Results

Value(mg/L) at
temperature ( °C): 0.1127 mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result is a


calculated value.

References: Meylan, W., P. Howard and R. Boethling (1996)


Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.

EPIWIN (2000a). Estimation Program Interface for


Windows, version 3.10. Syracuse Research
Corporation, Syracuse, NY. USA.

2.6.2 Surface tension

No data available

2.7 Flash Point (Liquids)

Test Substance

Identity: CAS No. 112-41-4, 1-Dodecene

Method

Method: ASTM D56


GLP:

Test Conditions: No data

Results

Value (°C): 77 °C

514 UNEP PUBLICATIONS


OECD SIDS DODECENE
2. PHYSICO-CHEMICAL DATA ID: 25378-22-7
DATE: 28.04.2005
Type of test: Closed cup

Reliability: (2) Reliable with restrictions. Reliable secondary source.


These data were not reviewed for quality.

Reference: Lappin, G.R. and J.D. Sauer (1989) Alpha Olefins Application
Handbook, Marcel Dekker, Inc., N.Y.

2.8 Auto Flammability (Solids/Gases)

No data available

2.9 Flammability

No data available

2.10 Explosive Properties

No data available

2.11 Oxidising Properties

No data available

2.12 Oxidation-Reduction Potential

No data available

UNEP PUBLICATIONS 515


OECD SIDS DODECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25378-22-7
DATE: 28.04.2005
3.1 Stability

A. Photodegradation

(1) Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method/
guideline followed: Other: Technical discussion

Type: water
GLP: Not applicable
Year: Not applicable

Test Conditions: Not applicable

Results

Direct photolysis: In the environment, direct photolysis will


not significantly contribute to the degradation of
constituent chemicals in the Higher Olefins
Category.

Remarks: The direct photolysis of an organic molecule


occurs when it absorbs sufficient light energy to
result in a structural transformation (Harris,
1982a). The reaction process is initiated when
light energy in a specific wavelength range
elevates a molecule to an electronically excited
state. However, the excited state is competitive
with various deactivation processes that can
result in the return of the molecule to a non
excited state.

The absorption of light in the ultra violet (UV)-


visible range, 110-750 nm, can result in the
electronic excitation of an organic molecule.
Light in this range contains energy of the same
order of magnitude as covalent bond dissociation
energies (Harris, 1982a). Higher wavelengths (e.g.
infrared) result only in vibrational and
rotational transitions, which do not tend to
produce structural changes to a molecule.

The stratospheric ozone layer prevents UV light of


less than 290 nm from reaching the earth's
surface. Therefore, only light at wavelengths
between 290 and 750 nm can result in photochemical
transformations in the environment (Harris,
1982a). Although the absorption of UV light in the
290-750 nm range is necessary, it is not always
sufficient for a chemical to undergo photochemical
degradation. Energy may be re-emitted from an
excited molecule by mechanisms other than chemical
transformation, resulting in no change to the
parent molecule.

516 UNEP PUBLICATIONS


OECD SIDS DODECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25378-22-7
DATE: 28.04.2005
A conservative approach to estimating a
photochemical degradation rate is to assume that
degradation will occur in proportion to the amount
of light wavelengths >290 nm absorbed by the
molecule (Zepp and Cline, 1977).

Olefins with one double bond, such as the


chemicals in the Higher Olefins category, do not
absorb appreciable light energy above 290 nm. The
absorption of UV light to cause cis-trans
isomerization about the double bond of an olefin
occurs only if it is in conjugation with an
aromatic ring (Harris, 1982a).

Products in the Higher Olefins Category do not


contain component molecules that will undergo
direct photolysis. Therefore, this fate process
will not contribute to a measurable degradative
removal of chemical components in this category
from the environment.

Reliability: Not applicable

References: Harris J C (1982a). Rate of Aqueous Photolysis.


Chapter 8 in: W. J. Lyman, W. F. Reehl, and D. H.
Rosenblatt, eds., Handbook of Chemical Property
Estimation Methods, McGraw-Hill Book Company, New
York, USA.

Zepp, R. G. and D. M. Cline (1977). Rates of


Direct Photolysis in the Aqueous Environment,
Environ. Sci. Technol., 11:359-366.

(2) Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method/
guideline followed: Calculated values using AOPWIN version 1.91,
a subroutine of the computer program EIPWIN
version 3.11 which uses a program described by
Meylan and Howard (1993) . Program used the
structure for 1-dodecene.

Type: air
GLP: Not applicable
Year: Not applicable

Results

Indirect photolysis

Sensitiser (type): OH
Rate Constant: 38.6563 E-12 cm3/molecule-sec
Degradation % after: 50% after 3.320 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3)

UNEP PUBLICATIONS 517


OECD SIDS DODECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25378-22-7
DATE: 28.04.2005

Sensitiser (type): Ozone


Rate Constant: 1.2 E-17 cm3/molecule-sec
Degradation % after: 50% after 22.920 hrs (using avg. ozone conc.
of 7 E11 mol/cm3)

Reliability: (2) Reliable with restrictions. The value was


calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.

Flag: Critical study for SIDS endpoint

References: Meylan, W.M. and Howard, P.H. (1993) Computer


estimation of the atmospheric gas-phase reaction
rate of organic compounds with hydroxyl radicals
and ozone. Chemosphere 26: 2293-99

EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

B. Stability in Water

Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method/
guideline followed: Other – Technical Discussion
Type (test type):
GLP: Yes [ ] No[ ]
Year:

Test Conditions: Not applicable

Results: Not applicable

Remarks: Hydrolysis of an organic molecule occurs when a molecule


(R-X) reacts with water (H2O) to form a new carbon-
oxygen bond after the carbon-X bond is cleaved (Gould,
1959; Harris, 1982b). Mechanistically, this reaction is
referred to as a nucleophilic substitution reaction,
where X is the leaving group being replaced by the
incoming nucleophilic oxygen from the water molecule.

The leaving group, X, must be a molecule other than


carbon because for hydrolysis to occur, the R-X bond
cannot be a carbon-carbon bond. The carbon atom lacks
sufficient electronegativity to be a good leaving group
and carbon-carbon bonds are too stable (high bond
energy) to be cleaved by nucleophilic substitution.
Thus, hydrocarbons, including alkenes, are not subject
to hydrolysis (Harris, 1982b) and this fate process will
not contribute to the degradative loss of chemical
components in this category from the environment.

518 UNEP PUBLICATIONS


OECD SIDS DODECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25378-22-7
DATE: 28.04.2005
Under strongly acidic conditions the carbon-carbon
double bond found in alkenes, such as those in the
Higher Olefins Category, will react with water by an
addition reaction mechanism (Gould, 1959). The reaction
product is an alcohol. This reaction is not considered
to be hydrolysis because the carbon-carbon linkage is
not cleaved and because the reaction is freely
reversible (Harris, 1982b). Substances that have a
potential to hydrolyze include alkyl halides, amides,
carbamates, carboxylic acid esters and lactones,
epoxides, phosphate esters, and sulfonic acid esters
(Neely, 1985).

The substances in the Higher Olefins Category are


primarily olefins that contain at least one double bond
(alkenes). The remaining chemicals are saturated
hydrocarbons (alkanes). These two groups of chemicals
contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic
mechanism discussed above. Therefore, chemicals in the
Higher Olefins Category have a very low potential to
hydrolyze, and this degradative process will not
contribute to their removal in the environment.

Conclusions: In the environment, hydrolysis will not contribute to


the degradation of dodecene.

Reliability: Not applicable

References: Gould, E.S. (1959) Mechanism and Structure in Organic


Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.

Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in:


W.J. Lyman, W.F. Reehl, and D.H. Rosenblatt, eds.,
Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.

Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G.


E. Blau, eds. Environmental Exposure from Chemicals. Vol
I., pp. 157-173. CRC Press, Boca Raton, FL, USA.

C. Stability In Soil

No data available

3.2 Monitoring Data (Environment)

No data available.

3.3 Transport and Distribution

3.3.1 Transport between environmental compartments

A. Test Substance

Identity: CAS No. 25378-22-7, Dodecene

UNEP PUBLICATIONS 519


OECD SIDS DODECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25378-22-7
DATE: 28.04.2005
Method

Type: Fugacity models, Mackay Levels I and III

Remarks: Trent University model used for calculations. Half-lives in


water, soil and sediment estimated using EPIWIN (EPIWIN,
2000b)

Chemical assumptions:

Molecular weight: 168


Water solubility: 0.125 g/m3
Vapor pressure: 35.6 Pa (25°C)
Log Kow: 6.1
Melting point: -35.2°C
Environment name: EQC Standard Environment

Half-life in air = 5.149 hr, half-life in water = 360 hr,


half-life in soil = 360 hr, half-life in sediment = 1440 hr

All other parameters were default values. Emissions for Level


I = 1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).

Results Media: Air, soil, water and sediment concentrations were


estimated

Level I Level III


Air 89% <1%
Water <1% 13%
Soil 10.3% 33.9%
Sediment <1% 52.5%

Remarks: Since default assumptions for release estimates were used,


resulting environmental concentrations are not provided.

Conclusions: These results indicated that dodecene will partition


primarily to air under equilibrium conditions (Level I model),
but primarily to soil and sediment under the assumed pattern
of chemical release (equal loading of water, soil and air) in
the Level III model.

Reliability: (2) Valid with restrictions: Data are calculated.

Flag: Critical study for SIDS endpoint

References: Trent University (2004). Level I Fugacity-based Environmental


Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version 2.80.1.
Environmental Modeling Centre, Trent University, Peterborough,
Ontario. (Available at http://www.trentu.ca/cemc)

EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

520 UNEP PUBLICATIONS


OECD SIDS DODECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25378-22-7
DATE: 28.04.2005
B. Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Type: Volatilization from water

Remarks: Calculated using the computer program EPIWIN version


3.10, using a
Henry’s Law Constant of 1.96 atm-m3/mole (calculated
estimated by Bond SAR method).

Results: Half-life from a model river: 1.325 hrs


Half-life from a model lake: 5.1 days

Reliability: (2) Valid with restrictions. Values are


calculated.

References: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10 Syracuse Research Corporation, Syracuse,
NY. USA.

3.3.2 Distribution

A. Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method: Adsorption Coefficient (Koc) calculated value using the


computer program EPIWIN, PCKOC v 1.66, based on the
method of Meylan et al., 1992.

Test Conditions: Based on chemical structure. Program used the structure


for 1-dodecene

Results

Value: Estimated Koc = 5864

Reliability: (2) Reliable with restrictions. Value is calculated.

Reference: Meylan, W., P.H. Howard and R.S. Boethling (1992)


Molecular topology/fragment contribution method for
predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

B. Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

UNEP PUBLICATIONS 521


OECD SIDS DODECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25378-22-7
DATE: 28.04.2005
Method: Henry’s Law Constant calculated value using the computer
program EPIWIN, HENRYWIN v 3.10

Test Conditions: Bond and Group estimates based on chemical structure, at


25°C; VP/water solubility estimates based on EPIWIN
values of VP = 0.267 mm Hg and WS = 0.125 mg/L. Program
used the structure for 1-dodecene.

Results

Value: Bond estimate = 1.96 atm-m3/mole


Group estimate = 4.25 atm-m3/mole
VP/Wsol estimate = 0. 475 atm-m3/mole

Reliability: (2) Reliable with restrictions. Values are calculated.

Reference: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

3.4 Aerobic Biodegradation

A. Test Substance

Identity: CAS No. 68526-58-9; Alkenes, C11-13, C12 Rich

Method

Method/guideline: OECD 301F, Ready Biodegradability, Manometric


Respirometry Test

Type: Aerobic [X ] Anaerobic [ ]


GLP: Yes

Year: 1993

Contact time: 28 days


Inoculum: Domestic activated sludge

Test Conditions: Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride).

Test vessels were 1L glass flasks placed in a waterbath


and electronically monitored for oxygen consumption.

Test material was tested in triplicate, controls and


blanks were tested in duplicate.

Test material loading was approximately 50 mg/L. [Reason


for using 50 mg/L instead of 100 mg/L: Substances such
as this test material typically have ThODs between 2 and
3 mg per mg substance. Thus, the test material
concentration was adjusted for a target of 100 mg
THOD/L] Sodium benzoate (positive control) concentration
was approximately 50 mg/L.
Test temperature was 22 +/- 1 Deg C.

522 UNEP PUBLICATIONS


OECD SIDS DODECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25378-22-7
DATE: 28.04.2005
All test vessels were stirred constantly for 28 days
using magnetic stir bars and plates.

Results: Approximately 23% biodegradation of the test material


was measured on day 28. By day 14, >60% biodegradation
of the positive control was measured, which meets the
guideline requirement. No excursions from the protocol
were noted. Biodegradation was based on oxygen
consumption and the theoretical oxygen demand of the
test material as calculated using results of an
elemental analysis of the test material.

% Degradation* Mean % Degradation


Sample (day 28) (day 28)
Test Material 19.0, 23.8, 25.3 22.7
Na Benzoate 91.0, 81.3 86.3

* replicate data

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

Reference: Exxon Biomedical Sciences, Inc. (1997) Ready


Biodegradability: OECD 301F Manometric Respirometry.
Study #115894A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).

B. Test Substance

Identity: CAS No. 68526-58-9; Alkenes, C12-14, C13 Rich

Method

Method/guideline: OECD 301F, Ready Biodegradability, Manometric


Respirometry Test

Type: Aerobic [X ] Anaerobic [ ]


GLP: Yes

Year: 1995

Contact time: 28 days


Inoculum: Domestic activated sludge

Test Conditions: Activated sludge and test medium were combined prior to
test material addition. Test medium consisted of glass
distilled water and mineral salts (phosphate buffer,
ferric chloride, magnesium sulfate, and calcium
chloride). Test vessels were 1L glass flasks placed in a
waterbath and electronically monitored for oxygen
consumption.Test material was tested in triplicate,
controls and blanks were tested in duplicate. Test
material loading was 45 mg/L. [Reason for using 45 mg/L
instead of 100 mg/L: Substances such as this test
material typically have ThODs between 2 and 3 mg per mg
substance. Thus, the test material concentration was
adjusted for a target of 100 mg THOD/L] Sodium benzoate

UNEP PUBLICATIONS 523


OECD SIDS DODECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25378-22-7
DATE: 28.04.2005
(positive control) concentration was approximately 50
mg/L. Test temperature was 22 +/- 1 Deg C. All test
vessels were stirred constantly for 28 days using
magnetic stir bars and plates.

Results: Approximately 8% biodegradation of the test material was


measured on day 28.

Remarks: By day 14, >60% biodegradation of the positive control


was measured, which meets the guideline requirement. No
excursions from the protocol were noted. Biodegradation
was based on oxygen consumption and the theoretical
oxygen demand of the test material as calculated using
results of an elemental analysis of the test material.

% Degradation* Mean %
Degradation
Sample (day 28) (day 28)
Test Material 6.28, 8.26, 8.35 7.63
Na Benzoate 88.2, 86.5 87.4

* replicate data

Reliability: (1) Reliable without restrictions

Reference: Exxon Biomedical Sciences, Inc. (1997) Ready


Biodegradability: OECD 301F Manometric Respirometry.
Study #119394A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).

C. Test Substance

Identity: C10-13 Internal Olefins (Shop Olefins 103), linear

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 = 37-
47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method

Method/guideline: OECD 301D Closed Bottle Test


Type: Aerobic [X ] Anaerobic [ ]
GLP: Yes
Year: 1985
Contact time: 28 days
Inoculum: Activated domestic sludge

Test Conditions: Microorganisms were obtained from Sittingbourne Sewage


Works (UK) and prepared according to standard test
protocols. C10-13 Alpha Olefin was added to the test
medium from a stock solution containing 2.4 g/L
emulsified in Dobane PT sulphonate. The final test
concentration was 2 mg olefins 103/L. Test bottles were
incubated at 21±1°C and the extent of biodegradation was
determined by measuring oxygen concentration in the
bottles at days 5, 15 and 28. Controls with no
microbial innoculum (control) and with medium plus
microbial innoculum only (blank) were included. Sodium

524 UNEP PUBLICATIONS


OECD SIDS DODECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25378-22-7
DATE: 28.04.2005
benzoate was used as a biodegradable substance to
demonstrate the activity of the microbial innoculum.

Results: Under these test conditions, 103 Olefin was oxidized to


54% of the theoretical oxygen demand by day 5 and 60-67%
by day 28 with no lag period. 89% of the possible
oxygen demand had been consumed in the bottles titrated
on day 15. Based on the 15-day results, the 10-day
window criterion for “readily biodegradable” appears to
have been met; however, the lower values found on day 28
confound the evaluation.

Reliability: (2) Reliable with restrictions: Insufficient information


on kinetic of biodegradation or biodegradation of
reference substance.

Reference: Turner, S.J., Watkinson, R.J., Shop (1985) Olefins 103:


An assessment of Ready Biodegradability, Sittingbourne,
Shell Research Limited, SBGR.85.106 (unpublished
report).

Other: This study was included in the dossier for 1-dodecene at


SIAM 11. Additional information has been added.

D. Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method/guideline: Estimated using the computer program EPIWIN v


3.10, BIOWIN v 4.00

Type: Aerobic

Test Conditions: Estimates use methods described by Howard et al., 1992;


Boethling et al., 1994; and Tunkel et al., 2000.
Estimates are based upon fragment constants that were
developed using multiple linear and non-linear
regression analyses.

Results: Linear model prediction: Biodegrades fast


Non-linear model prediction: Biodegrades fast
Ultimate biodegradation timeframe: Weeks
Primary biodegradation timeframe: Days
MITI linear model prediction: Biodegrades fast
MITI non-linear model prediction: Biodegrades fast

Reliability: (2) Reliable with restriction: Results are estimated

Reference: Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J.


Beaumann and N. Tirado (1994) Group contribution method
for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.

Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M.


Meylan, A.E. Hueber, J.A. Beauman and M.E. Larosche
(1992) Predictive model for aerobic biodegradability

UNEP PUBLICATIONS 525


OECD SIDS DODECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25378-22-7
DATE: 28.04.2005
developed from a file of evaluated biodegradation data.
Environ. Toxicol. Chem. 11:593-603.

Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and


H. Loonen (2000) Predicting ready biodegradability in
the MITI Test. Environ. Toxicol. Chem. (accepted for
publication)

EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

3.5 BOD5, COD or ratio BOD5/COD

No data available

3.6. Bioaccumulation

Test Substance

Identity: CAS No. 25378-22-7, Dodecene

Method

Method: BCF calculated value using the computer program EPIWIN, BCF v
2.15

Test Conditions: Based on chemical structure and a Log Kow of 6.1 (estimated by
EPIWIN program using structure for 1-dodecene) using methods
described by Meylan et al., 1999. Formula used to make BCF
estimate: Log BCF = 0.77 log Kow – 0.70 + correction (alkyl
chains [8+ -CH2- groups] with a value of -1.5).

Results

Value: Estimated Log BCF = 2.496 (BCF = 313.1)

Reliability: (2) Reliable with restrictions. Value is calculated.

Reference: Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved


method for estimating bioconcentration / bioaccumulation
factor from octanol/water partition coefficient. Environ.
Toxicol. Chem. 18(4): 664-672

EPIWIN (2000b). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.

3.7 Additional Information

Sewage Treatment

Test Substance

Identity: CAS No. 25378-22-7, Dodecene

526 UNEP PUBLICATIONS


OECD SIDS DODECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25378-22-7
DATE: 28.04.2005
Test Method: Calculated, EPIWIN STP Fugacity Model, predicted fate in
a wastewater treatment facility.
Input values: MW = 168.33; Henry’s LC = 1.96 atm-m3/mol; air-water
partition coefficient = 80.158; Log Kow = 6.1; biomass
to water partition coefficient = 251,786; temperature =
25°C
GLP: No
Test Medium: Secondary waste water treatment (water)
Test Type: Aerobic

Test Results: 99.74 % removed from wastewater treatment

Reference: EPIWIN (2000a) Estimation Program Interface for Windows,


version 3.10. Syracuse Research Corporation, Syracuse,
NY. USA.

UNEP PUBLICATIONS 527


OECD SIDS DODECENE
4. ECOTOXICITY ID: 25378-22-7
DATE: 28.04.2005
4.1 Acute Toxicity to Fish

Test Substance

Identity: CAS No. 68526-58-9; Alkenes, C11-13, C12 Rich

Method

Method/guideline: OECD 203


Test type: Semi-static Fish Acute Toxicity Test
GLP: Yes [X ] No [ ]
Year: 1995
Species/Strain: Oncorhynchus mykiss (Rainbow trout)
Analytical Monitoring: Yes
Exposure period: 96 hours
Statistical methods: No mortality occurred; therefore, statistical analysis
of the data was not warranted.

Test Conditions: This test was conducted as a limit test, i.e., one test
material exposure solution was tested. The test solution was
prepared by adding the test substance, via syringe, to 19.5 L
of laboratory blend water in a 20 L glass carboy. The
solution was mixed for 24 hours with a vortex of <10%. Mixing
was performed using a magnetic stir plate and Teflon coated
stir bar at room temperature (approximately 22C). After
mixing, the solution was allowed to settle for one hour after
which the Water Accommodated Fraction (WAF) was siphoned from
the bottom of the mixing vessel through a siphon that was
placed in the carboy prior to adding the test material. Test
vessels were 4.0 L aspirator bottles that contained
approximately 4.5 L of test solution. Each vessel was sealed
with no headspace after 5 fish were added. Three replicates of
the test material loading were prepared. Approximately 80% of
each solution was renewed daily from a freshly prepared WAF.

The test material loading level was 86.0 mg/L. A control


containing no test material was included. The analytical
results were below the lowest quantitation standard (0.20
mg/L).

Test temperature was 16C. Lighting was 666 to 669 Lux with a
16-hr light and 8-hr dark cycle. Dissolved oxygen ranged from
9.0 to 9.8 mg/L for "new" solutions and 6.1 to 7.4 mg/L for
"old" solutions. The pH ranged from 7.6 to 8.3 for "new"
solutions and 7.3 to 7.9 for "old" solutions.

Fish supplied by Thomas Fish Co., Anderson,


CA, USA; age at test initiation = approximately 5 weeks; mean
wt. at test termination = 0.271 g; mean total length at test
termination = 3.1 cm; test loading = 0.32 g of fish/L. The
fish were slightly shorter than the guideline suggestion of
4.0 to 6.0 cm, which were purposely selected to help maintain
oxygen levels in the closed system. Fish size had no
significant effect on study outcome.

Results: 96-hour LL0 = 86.0 mg/L based upon loading rates; LC50 >
solubility.

Analytical method used was Headspace Gas Chromatography with


Flame Ionization Detection (GC-FID).

528 UNEP PUBLICATIONS


OECD SIDS DODECENE
4. ECOTOXICITY ID: 25378-22-7
DATE: 28.04.2005

Loading Measured Fish Total


Rate (mg/L) Conc. (mg/L) Mortality (@96 hrs)*
Control ND 0
86.0 BD 0

* 15 fish added at test initiation


ND - not detected; the lowest analyzed standard was 0.20 mg/L
BD - below the lowest analyzed standard, 0.20 mg/L

Remarks: The test material is not sufficiently water soluble to cause


mortality to rainbow trout in a 96-hour acute toxicity test.
Although the water solubility of this test material at a
loading of 86.0 mg/L was not established, the sum of its
components at this loading is likely to be less than 0.20 mg/L
because this was the lowest standard used in the analyses that
supported this study.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Exxon Biomedical Sciences, Inc. (1996) Fish, Acute Toxicity


Test. Study #119258. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished report).

4.2 Acute Toxicity to Aquatic Invertebrates (e.g. Daphnia)

No data available

4.3 Toxicity to Aquatic Plants (e.g. Algae)

Test Substance

Identity: CAS No. 112-41-4, 1-Dodecene (>97%, Neraten®12)

Method

Method/guideline: No data
Test type: static
GLP: No
Year: 1997
Analytical Monitoring: No data
Species/Strain: Planktonic freshwater green algae, Scenedesmus
subspicatus, from collection of autotrophic organisms of
the Botanical Institute of AV ČR.
Element basis: 10,000 cells per 1mL, area under the curve, exponential
growth rate
Exposure period: 72hrs
Statistical methods: Inhibition of algae growth in % was calculated as
integral of biomass (area under growth curve) Iai. The terminal
inhibition evaluation was done by software Toxicita VÚV
Ostrava (1991). For calculation of EbC50, used approximation
function: multinominal 3.stage with a 95% confidence limit.

Test Conditions: Algae inoculum was taken from an exponentially growing


culture, after a 3-day pre-cultivation. Cell density was

UNEP PUBLICATIONS 529


OECD SIDS DODECENE
4. ECOTOXICITY ID: 25378-22-7
DATE: 28.04.2005
measured immediately before the start of the test and the
necessary volume of inoculum, corresponding to 10,000 cells
per 1mL, was determined. Every concentration set had control
tests without tested material. Sensitivity of algae culture
and accuracy of the test execution was checked by testing of
standard material (potassium dichromate p.a.).

Test temperature range: 21-25°C, pH of solutions: 7.70.

Un-watered standard nutrient medium for algae cultivation,


prepared by mixing of reserve solutions A, B, C, D in volume
100,10,10,10 and complementing to 1L with distilled water:

Reserve solution A: Reserve solution B:


NH4Cl 1.5g FeCl3 .6H20 80mg
MgCl2.6H20 1.2g Na2EDTA.2H20 100mg
CaCl2.2H20 1.8g in 1L distilled water
K2HPO4 0.16g
in 1L distilled water

Reserve solution C: Reserve solution D:


H3BO3 185mg NaHCO3 50g
MnCl2 415mg in 1L distilled water
ZnCl2 3mg
CoCl2.6H20 1.5mg
CuCl2.2H20 0.01mg
Na2Mo04.2H20 7mg
in 1L distilled water

Dilution water was obtained by dilution of un-watered nutrient


solution with water (1:10).

Equipment: Agitator LT-2, pHmeter WTW-pH 539, fluor tube of universal white
light of range 6000-10000 lux, microscope, Burker’s computing
chamber, equipment for microfiltration, filters Synpor with pores
0.2um, bulbs, beakers, pipettes.

Duration of the test is 72hrs. The sample was taken and the
density of algae suspension was determined microscopically as
number of cells in 1mL every 24hrs.

Results: EbL50 (0-72hrs)=15.4 mg/l (confidence limits: 14. 25-16.58)


ErL50 (0-72hrs) could not be determined

Remarks: Base solution 0.0183g/l diluting water.


Preliminary test:
Thinning ml/l 1000 500 100 Control
Concentration mg/l 18.3 9.15 1.8
Number of cells 0hr 10000 10000 10000 10000
Number of cells 72hrs 125000 156250 181250 193750

Base test I:
Thinning ml/l 1000 800 600 400 200 100 Control
Concentration mg/l 18.3 14.6 10.9 7.3 3.7 1.8 0
Number of cells/ml 10000 10000 10000 10000 10000 10000 10000
(0hr)
Number of cells/ml 18750 137500 143750 162500 181250 187500 206250
(72hrs)
Inhibition Iai % 69.3 42.6 35.6 26.7 13.8 10.9 0

530 UNEP PUBLICATIONS


OECD SIDS DODECENE
4. ECOTOXICITY ID: 25378-22-7
DATE: 28.04.2005
Inhibition Iui % 18.8 13.9 11.9 7.9 3.9 2.9 0

Base test II:


Thinning ml/l 1000 800 600 400 200 100 Control
Concentration mg/ 18.3 14.6 10.9 7.3 3.7 1.8 0
Number of cells/ml 10000 10000 10000 10000 10000 10000 10000
(0hr)
Number of cells/ml 125000 131250 143750 168750 175000 175000 200000
(72hrs)
Inhibition Iai % 69.4 43.9 33.7 23.5 12.2 12.2 0
Inhibition Iui % 16 14 11 6 5 5 0

Reliability: (3) Not reliable. Because this study cites an effect that was
seen above the water solubility limit, the results are
questionable.

References: Research Institute of Organic Synthesis a.s (1997) Pardubice,


Czech Republic test Protocol No. 28/L (unpublished report).

4.4 Toxicity to Micro-organisms, e.g. Bacteria

No data available

4.5 Chronic Toxicity to Aquatic Organisms

A. Chronic Toxicity to Fish

Test Substance: CAS No. 25378-22-7, Dodecene

Method/Guideline:

Type (test type): 30-day Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000b)

Species: Fish

Test Conditions: The program uses structure-activity relationships (SARs)


to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 6.10, which was estimated by EPIWIN using the
structure for 1-dodecene.

Results:

Units/Value: Estimated 30-day ChV = 4 µg/L

Flag: Key study for SIDS endpoint

UNEP PUBLICATIONS 531


OECD SIDS DODECENE
4. ECOTOXICITY ID: 25378-22-7
DATE: 28.04.2005
Reliability: (2) Reliable with restrictions. The result is
calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

B. Chronic Toxicity to Aquatic Invertebrates

Test Substance: CAS No. 25378-22-7, Dodecene

Method/Guideline:

Type (test type): 16-day EC50 value calculated using the computer program
ECOSAR, version 0.99g included in the EPI Suite
software, v 3.11 (EPIWIN, 2000b)

Species: Daphnia magna

Test Conditions: The program uses structure-activity relationships (SARs)


to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 6.10, which was estimated by EPIWIN using the
structure for 1-dodecene.

Results:

Units/Value: Estimated 16-day EC50 = 8 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

4.6 Toxicity to Terrestrial Organisms

A. Toxicity to Terrestrial Plants.

Test Substance: CAS No. 25378-22-7, Dodecene

Method/Guideline:

532 UNEP PUBLICATIONS


OECD SIDS DODECENE
4. ECOTOXICITY ID: 25378-22-7
DATE: 28.04.2005
Type (test type): 96-hr Chronic Toxicity Value (ChV) calculated using the
computer program ECOSAR, version 0.99g included in the
EPI Suite software, v 3.11 (EPIWIN, 2000b)

Species: Green algae

Test Conditions: The program uses structure-activity relationships (SARs)


to predict the aquatic toxicity of chemicals based on
their similarity of structure to chemicals for which the
aquatic toxicity has been previously measured. The
program uses regression equations developed for chemical
classes using the measured aquatic toxicity values and
estimated Kow values. Toxicity values for new chemicals
are calculated by inserting the estimated Kow into the
regression equation and correcting the resultant value
for the molecular weight of the compound. The CAS number
was used for input into EPIWIN. The program used a Kow
value of 6.10, which was estimated by EPIWIN using the
structure for 1-dodecene.

Results:

Units/Value: Estimated 96-hr ChV = 21 µg/L

Flag: Key study for SIDS endpoint

Reliability: (2) Reliable with restrictions. The result is


calculated data.

Reference: EPIWIN (2000b). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

B. Toxicity to Soil Dwelling Organisms.

No data available

C. Toxicity to Other Non Mammalian Terrestrial Species (including Avian)

No data available

4.7 Biological Effects Monitoring (including Biomagnification)

No data available

4.8 Biotransformation and Kinetics

No data available

UNEP PUBLICATIONS 533


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
5.1 Toxicokinetics, Metabolism and Distribution

No data available

5.2 Acute Toxicity

A. Acute oral toxicity

(1) Test Substance

Identity (purity):CAS No. 68526-58-9, Alkenes, C11-13, C12 rich

Method

Method/guideline: NA
Type (test type): LD50
GLP: Pre-GLP
Year: 1961
Species/Strain: Rat/Sprague-Dawley
Sex: Males
No. of animals per
sex per dose: 5

Vehicle: Corn oil


Route of
administration: Oral gavage

Test Conditions: Age of the test animals was not reported. Body
weights ranged from 103 to 126g at initiation of
the study. Frequency of treatment: Single
treatment. Dose/Concentration Levels: Either
0.1, 1.0, and 10.0% volume/volume in corn oil or
undiluted. (Equivalent to 24.5, 77.4, 245, 774,
2446, and 7440 mg/kg). For the purpose of this
study, the test material was considered to be free
of impurities. Control group and Treatment: For
comparison, untreated animals were necropsied at
the end of the study. Prior to dosage, food was
withheld from the animals for three hours.
Following exposure, food and water was available
at all times. The animals were observed for gross
effects and mortality at 1, 4, and 24 hours and
once daily thereafter for 7 days. Gross
necropsies were performed at the end of the
observation period. Tissue samples from the 2446
and 7440 mg/kg dose levels were collected for
further analysis.

No mortality occurred; therefore, statistical


analysis of the data was not warranted.

Results:

Value: LD50 > 7740 mg/kg


Number of deaths
at each dose level: None

Remarks: Animals at all dosage levels exhibited normal


appearance and behavior throughout the entire

534 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
study and showed normal body weight gain. There
were no pathological findings at necropsy.

Under the conditions of this study, Alkenes, C11-


13, C12-rich have a low order of toxicity.

Reliability: (1) Reliable without restrictions, comparable to


guideline study

Flag: Key study for SIDS endpoint

References: Hazleton Laboratories, Inc. (1961) Acute Oral


Administration - Rats, Acute Dermal Application -
Rabbits, Acute Eye Application - Rabbits, Acute
Inhalation Exposure - Mice, Rats, Guinea Pigs;
Performed for Esso Research and Engineering Co.
(unpublished report).

(2) Test Substance

Identity (purity): CAS No. 112-41-4, 1-Dodecene (C12 alpha


olefin)

Method

Method/guideline: OECD 401


Type (test type): LD50
GLP: No
Year: 1976
Species/Strain: Sprague-Dawley Rat
Sex: Male
No. of animals per
sex per dose: 10

Vehicle: None
Route of
administration: Oral gavage

Test Conditions: Groups of 10 male Sprague Dawley rats weighing


200-300 g were gavaged, after overnight fasting,
with 1-dodecene, neat, at 10 g/kg body-weight. The
animals were observed for 14 days after dosing.
Survivors were sacrificed and autopsied.

Results: There were no deaths and no visible signs of


toxicity. All of the animals were gaining weight
normally. The autopsy did not reveal any gross
pathological changes.

Value: LD50 > 10 g/kg


Number of deaths
at each dose level: 0/10

Reliability: (2) Reliable with restrictions: Incomplete


reporting of experimental details

Flag: Key study for SIDS endpoint

UNEP PUBLICATIONS 535


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
References: Carter, G. (1976) A report on the acute toxicity
of Alpha Olefin C12, Ethyl Corporation
(unpublished report).

Other: This study was included in the dossier for


1-dodecene at SIAM 11. Additional information has
been added.

(3) Test Substance

Identity (purity): C12-14 Alpha Olefins

Remarks: Blend of CAS No. 112-41-4, 1-Dodecene; CAS No.


1120-36-1, 1-Tetradecene (proportions unknown)

Method

Method/guideline: no data
Type (test type): LD50
GLP: No
Year: 1977
Species/Strain: Rat
Sex: no data
No. of animals per
sex per dose: no data

Vehicle: no data
Route of
administration: Oral gavage

Test Conditions: After a fast of 18 hours, a single oral dose of 10


g/kg body weight was given. Survival was such that
the LD50 value was greater than 10 g/kg.

Results:

Value: LD50 > 10 g/kg

Reliability: (2) Reliable with restrictions: Incomplete


reporting.

References: Ethyl Corporation (1977) Toxicology Evaluation of


Ethyl Compound. Gulf South Research Institute
P.O. Box 1177 New Iberia, LA 70560 (unpublished
report).

Other: This study was included in the dossier for


1-tetradecene at SIAM 11.

B. Acute inhalation toxicity

(1) Test Substance

Identity (purity): CAS No. 68526-58-9, Alkenes, C11-13, C12


rich

Method

Method/guideline: NA
Type (test type): LC50
GLP: Pre-GLP

536 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
Year: 1961
Species/Strain: Swiss Albino Mice, Wistar Rats, English
short hair guinea pigs
Sex: Males
No. of animals per
sex per dose: 10/species

Vehicle: NA
Route of
administration: Inhalation (saturated vapors only, no
aerosol)

Test Conditions: Age of the test animals was not reported. Mean
body weights were 26g (mice), 154g (rats), and
327g (guinea pigs) at initiation of the study.
Dose/Concentration Levels: 4.4 mg/L for 6 hours
(saturated vapors only, no aerosol). Control group
and Treatment: Control animals (5/sex/species)
were exposed to clean air at the same flow rate as
the treated group. Air was bubbled through the
test material and into a chamber to give a total
flow through the chamber of 35 liters/minute. The
theoretical mean chamber concentration (4.4 mg/L,
639 ppm) was calculated from the loss of material
and airflow through the chamber. Animals were
observed throughout the exposure period for signs
of toxicity. Following the exposure period,
animals were observed for signs of toxicity daily
for 14 days. Gross necropsies were performed on
any animals that died during the study and all
animals at the completion of the study. For the
purpose of this study, the test material was
considered to be free of impurities.

No mortality occurred; therefore, statistical


analysis of the data was not warranted.

Results:

Value: LC50 > 4.4 mg/L (639 ppm) for 6 hours

Number of deaths
at each dose level: None

Remarks: Immediately following initiation of the exposure,


all animals exhibited increased motor activity.
Lacrimation was observed in rats and guinea pigs
beginning at the 90-minute interval. Otherwise,
all animals seemed normal in appearance and
behavior throughout the study. No abnormalities
were observed at necropsy. Under the conditions of
this study, Alkenes, C11-13, C12 rich have a low
order of acute inhalation toxicity in rats.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint.

References: Hazleton Laboratories, Inc. (1961) Acute Oral


Administration - Rats, Acute Dermal Application -
Rabbits, Acute Eye Application - Rabbits, Acute

UNEP PUBLICATIONS 537


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
Inhalation Exposure - Mice, Rats, Guinea Pigs;
Performed for Esso Research and Engineering Co.
(unpublished report).

(2) Test Substance

Identity: C10-13 Internal Olefins (Shop Olefins 103 PQ 11)

Remarks: Blend of CAS No. 25339-53-1 (C10 = 6-12%); CAS No.


28761-27-5 (C11 = 27-45%); CAS No. 25378-22-7 (C12 =
37-47%); CAS No. 25377-82-6 (C13 = 8-17%)

Method

Method/guideline: 4-hr exposures in a dynamic exposure system


Type (test type): LC50
GLP: No
Year: 1980
Species/Strain: Rat/Wistar
Sex: Males and females
No. of animals per
sex per dose: 5

Vehicle: None
Route of
administration: Inhalation (mist )

Test Conditions: One group of 10 rats each (5 males and 5 females,


approximately 10 weeks of age) was exposed for 4
hrs to a saturated concentration of test substance
(> 2.1 mg/L, ~305 ppm). Animals were observed for
14 days post-exposure. Initial, 7 day and 14 day
body weights were recorded.

The animals were contained within 7 liter glass


chambers fitted with carriers to accommodate five
animals each, through which the test atmosphere
was passed at a minimal rate of 10 liters/minute.

The test atmosphere was generated by flash


vaporization of the test substance supplied to a
heated flask by means of a micro metering pump.
The vapor was blended with dilution air in a
mixing flask, and the vapor/air mixture was passed
through an air cooled condenser and a condensation
trap to the inhalation chambers. Continuous
analysis of the atmosphere during exposure was
undertaken, using a heated total hydrocarbon
analyzer.

Results:

Value: LC50 >2.1 mg/L (~305 ppm) (saturated


concentration) (mist)
Number of deaths
at each dose level: None

Remarks: Some rats lachrymated and salivated during


exposure, but no other toxic signs were observed
during the 14 day observation period.

538 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Blair, D., Sedgewick, A.E. (1980) The acute


inhalation toxicity of Olefins 103 PQ 11.
Sittingbourne, Shell Research Limited,
TLGR.80.052 (unpublished report).

Other: This study was included in the dossier for 1-


dodecene at SIAM 11. Additional information has
been added.

(3) Test Substance

Identity (purity):C12-16 Alpha Olefin Fraction (GULFTENE 12-16)

Remarks Blend of linear 1-dodecene (CAS No. 112-41-4), 1-


tetradecene (CAS No. 1120-36-1), and 1-hexadecene
(CAS No. 629-73-2). Composition of the blend was
undefined in the report; analysis of other
contemporary GULFTENE 12-16 blends showed 65-80%
C12, 16-25% C14, and 4-5% C16

Method

Method/guideline: 1-hr exposures to seven different concentrations


in a dynamic exposure system.
Type (test type): LC50
GLP: Yes [ ] No [X ]
Year: 1967
Species/Strain: Rat/Wistar
Sex: Males
No. of animals per
sex per dose: Not reported

Vehicle: None
Route of
administration: Inhalation

Test Conditions: Groups of male albino Wistar rats weighing between


209 and 299 g were exposed for 1 hour to saturated
mists of the test substance and observed for 14
days. The number of animals per group was not
reported. The animals were observed for toxic
signs during exposure and were periodically
weighed for 14 days after exposure. On the 14th
day, they were sacrificed for the determination of
gross pathological changes.

The saturated mists were prepared by placing a


Dautrabanda nebulizer within the exposure chamber
and passing an air line and olefin feed line to it
from outside. This aerosol generator produces
particles no larger than 8 µ in diameter. It was
found experimentally that the maximum mist
concentration was achieved when the nebulizer was
operating at an air flow of 2 L/min with about 50

UNEP PUBLICATIONS 539


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
ml of olefin in the reservoir. Estimates of mist
concentration were made from measurement of the
volume loss from the nebulizer reservoir and total
air flow through the system. Additionally, a
sample holder containing a millipore filter was
positioned downward in the chamber and air drawn
through at a rate calculated to collect suspended
particles of 2 µ or less. The lower size limit of
collection by the filter was expected to be 0.45µ
. Papers were weighed before and after collection
and the weight gain used to calculate
concentration of particles in the 0.45-2.0 µ
range. Statistical methods were not used.

Results:

Value: LC50 >9900 mg/m3 ,


(1438 ppm)
Number of deaths
at each dose level: None

Remarks: The aerosol generator produced particles that were


<8 microns in diameter. Rats showed a drowsy
appearance on removal from the chamber. The
drowsiness/ lethargy disappeared rapidly when
animals were removed from exposure. The fur of
animals was “oily” from deposition of particles.
There was no mortality and no significant weight
change or gross pathological change on autopsy.
Estimated exposure concentrations were 9900 mg/m3
for particles <8µ and 100 mg/m3 for particles
0.45 - 2.0µ . These concentrations represented
very heavy mists. Visability through the chamber
(12” diameter) was impossible. The LC50 was > 9900
mg/m3.

Reliability: (2) Reliable with restrictions: No information is


given on the number of animals dosed and there are
limited details of procedures.

References: Rinehart, W.E. (1967) Toxicological Studies on


Several Alpha Olefins. University of Pittsburgh,
submitted to Gulf Research and Development Co.
(unpublished report).

Other: This study was included in the dossier for 1-


dodecene at SIAM 11. Additional information has
been added.

C. Acute dermal toxicity

(1) Test Substance

Identity (purity): CAS No. 68526-58-9, Alkenes, C11-13, C12


rich

Method

Method/guideline: NA
Type (test type): LD50
GLP: Pre-GLP

540 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
Year: 1961
Species/Strain: Albino rabbits
Sex: Males and females
No. of animals
per sex per dose: 2

Vehicle: NA
Route of
administration: Dermal

Test Conditions: Age of the test animals was not reported. Body
weights ranged from 1.3 to 2.2 kg at initiation of
the study. Groups of animals were exposed to the
test substance in single exposures to
concentrations of 77.4, 245, 774, and 2446 mg/kg.
Undiluted test material was applied to clipped,
intact abdominal skin under rubber dental damming.
For the purpose of this study, the test material
was considered to be free of impurities. The
trunks of the animals were wrapped securely with
adhesive binder to prevent ingestion of the test
substance. Following the 24-hour exposure period,
the binder was removed and the exposed area was
sponged with warm water to remove residue.
Animals were observed for gross signs of
irritation and systemic toxicity daily for 14
days. Following the post-exposure observation
period, animals were weighed, sacrificed and
necropsied. Throughout the study, food and water
were available at all times and animals were
housed individually. Tissue samples were taken
from animals at the 774 and 2446 mg/kg dose
levels. No mortality occurred; therefore,
statistical analysis of the data was not
warranted.

Results:

Value: LD50 > 2446 mg/kg


Number of deaths
at each dose level: No mortalities were observed at any dose
tested.

Remarks: One animal in the 245 mg/kg dose group had


diarrhea on the last day of the study and a net
loss of weight. The remaining animals exhibited
normal appearance and behavior throughout the
entire study and showed normal body weight gain.
One animal in the 774 mg/kg and two animals in the
2446 mgl/kg dose groups had parasitic infections
in the liver. No other abnormalities were
observed at necropsy.

Upon removal of the binders, the exposed skin


showed slight erythema. Three of the high dose
animals displayed slight edema, which subsided
within 48 hours. By 48 hours, low dose animals
showed no signs of irritation. Erythema in the
high dose animals completely subsided by the third
day. By Day 12, all signs of irritation had
completely cleared in all of the animals with the

UNEP PUBLICATIONS 541


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
exception of slight desquamation in one high dose
animal.

Alkenes, C11-13, C12-rich have a low order of


acute dermal toxicity.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

Reference: Hazleton Laboratories, Inc. (1961) Acute Oral


Administration - Rats, Acute Dermal Application -
Rabbits, Acute Eye Application - Rabbits, Acute
Inhalation Exposure - Mice, Rats, Guinea Pigs;
Performed for Esso Research and Engineering Co.
(unpublished report).

(2) Test Substance

Identity (purity): CAS No. 112-41-4, 1-Dodecene (Alpha Olefin C12)

Method

Method/guideline: No data
Type (test type): LD50
GLP: Pre-GLP
Year: 1976
Species/Strain: Rabbit/New Zealand White
Sex: Not reported
No. of animals
per sex per dose: 4

Vehicle: None
Route of
administration: Dermal

Test Conditions: 1-Dodecene, neat, at 10 g/kg body weight was


placed under a plastic sleeve wrapped around the
clipped trunks of two intact and two abraded
rabbits (2.3-3.0 kg) The material was allowed to
remain in contact with the skin for 24 hours. The
animals were observed for 14 days after removal of
the sleeves.

Results: One out of the four rabbits dies on the 7th day of
observation. All other rabbits were gaining weight
normally. There was very slight erythema on the
first day of observations at the application site.

Value: LD50 > 10 g/kg


Number of deaths
at each dose level: 1/4 at 10 g/kg body weight

Reliability: (2) Reliable with restrictions: Incomplete


reporting of experimental details.

References: Carter, G. (1976) A report on the acute toxicity


of Alpha Olefin C12, Ethyl Corporation
(unpublished report).

542 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
Other: This study was included in the dossier for
1-dodecene at SIAM 11. Additional information has
been added.

(3) Test Substance

Identity (purity): C12-16 Alpha Olefin Fraction (GULFTENE 12-16)

Remarks Blend of linear 1-dodecene (CAS No. 112-41-4), 1-


tetradecene (CAS No. 1120-36-1), and 1-hexadecene
(CAS No. 629-73-2). Composition of the blend was
undefined in the report; analysis of other
contemporary GULFTENE 12-16 blends showed 65-80%
C12, 16-25% C14, and 4-5% C16

Method

Method/guideline: U.S. Federal Hazardous Substances Labeling Act


Type (test type): LD50
GLP: Pre-GLP
Year: 1967
Species/Strain: Albino rabbits
Sex: Males
No. of animals
per sex per dose: 4

Vehicle: NA
Route of
administration: Dermal

Test Conditions: Two groups of 4 rabbits (weighing between 2.3 and


3.0 kg) were used (treated and control). Prior to
dosing, the animals were clipped free of hair over
the entire trunk area. The skin of two animals
from each group was abraded by making longitudinal
epidermal abrasions spaced about 2-3 cm apart over
the area to be exposed. Surgical gauze was wrapped
around the animal and covered with an impervious
plastic film. The animals in the treated group
then received a dose of 10 g/kg test substance
introduced under the plastic film. Following
dosing, the animals were immobilized in stocks for
24 hr, after which the covering and excess
material were removed and the skin examined for
gross changes. Animals were weighed on Days 1-4,
and on Days 7 and 14. Animals were observed for
14 days and then sacrificed and autopsied.

Results:

Value: LD50 > 10 g/kg


Number of deaths
at each dose level: No mortalities that were related to exposure
to test substance. One control animal died from
pneumonia on Day 2.

Remarks: There were no signs suggestive of systemic


toxicity. The skins of animals became very taut,
dry and scaly, with no regrowth of hair in the
clipped areas and a loss of hair from areas which

UNEP PUBLICATIONS 543


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
became wet with the test substance. Autopsy showed
no gross signs of damage to internal organs.
Slight signs of pneumonia were observed in both
treated and control animals. All treated animals
showed weight loss on Days 1-7:

% Weight Loss
Day Day Day Day Day Day
1 2 3 4 7 14
C12-16 -9 -9 -4 -5 -4 0
Control 0 +2 +2 +3 +1 +4

Reliability: (2) Reliable with restrictions: Details of


procedures are not available, individual animal
data is not available, and animals appeared to
have pneumonia.

Reference: Rinehart, W.E. (1967) Toxicological Studies on


Several Alpha Olefins, for Gulf Research and
Development Company (unpublished report).

Other: This study was included in the dossier for 1-


dodecene at SIAM 11. Additional information has
been added.

(4) Test Substance

Identity (purity): CAS No. 68855-59-4, C14-16 Alpha Olefin


Blend (Typical composition C12-1.3%, C14-64.7%,
C16-33%, C18-1%, mono-olefin 99.6%, linear
terminal 76%, branched terminal 19%, linear
internal 5%)

Method

Method/guideline: Not specified


Type (test type): LD50
GLP: No
Year: 1976
Species/Strain: Rabbits/New Zealand White
Sex: Males and females
No. of animals
per sex per dose: 2 males, 2 females

Vehicle: None
Route of
administration: Dermal

Test Conditions: A C14-16 alpha olefin blend was tested for single
dose dermal toxicity in rabbits. Four New Zealand
white rabbits (2 male and 2 female, 2.3-3.0 kg)
were used. A dose of 10 grams per kilogram body
weight was applied to clipped and abraded test
sites. Sites were occluded for 24 hours and
animals observed for 14 days.

Results:

Value: LD50 > 10 g/kg

544 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
Number of deaths
at each dose level: No rabbits died during the 14-day
observation period and there were no visible signs
of toxicity. There was slight erythema on the
first day of observation.

Remarks: Survival was such that LD50’s were stated to be


greater than 10 grams per kilogram body weight.

Reliability: (2) Reliable with restrictions: incomplete


reporting

Reference: Carte, G. A report on the Acute Toxicity of Alpha


Olefins C14-16 Tulane University School of
Medicine August 1976; Ethyl Corporation, Sponsor
(unpublished report).

Flag: Key study for SIDS endpoint

Other: This study was included in the dossier for


1-tetradecene at SIAM 11. Additional information
has been added.

D. Acute toxicity, other routes

No data available

5.3 Corrosiveness/Irritation

A. Skin Irritation/Corrosion

(1) Test Substance

Identity (purity): CAS No. 68526-58-9, Alkenes, C11-13, C12


rich

Method

Method/guideline: NA
Type (test type): Dermal irritation
GLP: Pre-GLP
Year: 1961
Species/Strain: Albino rabbits
Sex: Males and females
No. of animals
per sex per dose: 2

Vehicle: NA
Route of
administration: Dermal

Test Conditions: Groups of animals were exposed to the test


substance in single exposures to concentrations of
77.4, 245, 774, and 2446 mg/kg. Undiluted test
material was applied to clipped, intact abdominal

UNEP PUBLICATIONS 545


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
skin under rubber dental damming. The trunks of
the animals were wrapped securely with adhesive
binder to prevent ingestion of the test substance.
Following the 24-hour exposure period, the binder
was removed and the exposed area was sponged with
warm water to remove residue. Animals were
observed for gross signs of irritation and
systemic toxicity daily for 14 days. Following
the post-exposure observation period, animals were
weighed, sacrificed and necropsied. Throughout
the study, food and water were available at all
times and animals were housed individually.

Age of the test animals was not reported. Body


weights ranged from 1.3 to 2.2 kg at initiation of
the study.

Results:

Number of deaths
at each dose level: No mortalities were observed at any dose
tested.

Remarks: Upon removal of the binders, the exposed skin


showed slight erythema. Three of the high dose
animals displayed slight edema, which subsided
within 48 hours. By 48 hours, low dose animals
showed no signs of irritation. Erythema in the
high dose animals completely subsided by the third
day. By Day 12, all signs of irritation had
completely cleared in all of the animals with the
exception of slight desquamation in one high dose
animal.

Reliability: (1) Reliable without restrictions; however,


exposure was more severe than recommended by
current testing guidelines (i.e., current
guidelines recommend semi-occlusive exposures for
4 hours)

Reference: Hazleton Laboratories, Inc. (1961) Acute Oral


Administration - Rats, Acute Dermal Application -
Rabbits, Acute Eye Application - Rabbits, Acute
Inhalation Exposure - Mice, Rats, Guinea Pigs;
Performed for Esso Research and Engineering Co.
(unpublished report).

(2) Test Substance: CAS No. 112-41-4, 1-Dodecene (95%, GULFTENE 12)

pH: Not applicable

Method: OECD 404

Test Type: in vivo


GLP: Yes
Year: 1995

Test Conditions

Species: Rabbits

546 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
Strain: New Zealand White
Cell type:
Sex: Male and female
Number of animals
per sex per dose: 5 males and 1 female

Total dose: 0.5 ml


Vehicle: None
Exposure time period: 4 hrs
Grading scale: Draize

Method Remarks: At the start of the study, the animals weighed


2.48 to 2.84 kg and were approximately 12 to 20
weeks old. One-half ml undiluted material was
applied to the unabraded skin on the shaved backs
of 6 rabbits, under a semi-occluded dressing
(cotton gauze patch placed in position with a strip
of porous tape; trunk wrapped in an elasticated
corset [TUBIGRIP]). A contralateral area of
untreated skin was identified to serve as the
control against which the reactions of the treated
site were evaluated. Four hours after application,
the corset and patches were removed and residual
test material was removed by swabbing with cotton
wool soaked in 74% Industrial Methylated Spirits.
The control sites were similarly swabbed. Scores
were made for erythema and edema at 0.5, 24, 48, 72
and 96 hr after removal of patches, and at 7 and 14
days after initiation of exposure.

Results: All animals gained weight during the study. Well-


defined erythema was noted at all treated skin
sties at the 30-min, 24-hr and 48-hr observations.
Well-defined erythema persisted at 3 treated sites
at the 72-hr observation and at 2 sites at the 96-
hr observation. Moderate to severe erythema was
noted at 3 treated sites at the 72-hr observation
and at 4 sites at the 96-hr observation. Very
slight erythema was apparent at 4 treated sites at
the 7-day observation. Crust formation was noted at
5 treated sites at the 7-day observation and at all
treated sites at the 14-day observation. Crust
formation was considered to be a reversible effect.
The reactions extended up to 6 cm beyond each
treated skin site during the study.

Slight edema was noted at 2 treated skin sites,


moderate edema at 2 sites and severe edema at 2
sites at the 30-min observation. Slight or moderate
edema was apparent at all sites at the 24 and 48-hr
observations. Slight edema was noted at all treated
sites at the 72 and 96-hr observations.

The Draize primary irritation index was 4.67. The


mean 24-72 hr scores for erythema and edema were
2.2 and 2.4, respectively.

Reliability: (1) Reliable without restrictions

Reference: Driscoll, R. (1996) Acute dermal irritation test


in the rabbit with GULFTENE 12, Report 703/078.

UNEP PUBLICATIONS 547


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
Conducted by Safepharm Laboratories Ltd. for
Chevron Research and Technology Company
(unpublished report).

Other: This study was included in the dossier for


1-dodecene at SIAM 11. Additional information has
been added.

B. Eye Irritation/Corrosion

(1) Test Substance

Identity (purity): CAS No. 68526-55-6; Alkenes, C11-13, C12


rich

Method

Method/guideline: Not specified


Type (test type): Ocular irritation
GLP: Pre-GLP
Year: 1961
Species/Strain: Albino rabbits
Sex: Males and females
No. of animals
per dose: 9

Vehicle: None
Route of
administration: Ocular

Test Conditions: The test material was administered as a single


instillation of 0.1 ml into the lower conjunctival
sac of the left eye of each animal. The untreated
eye in each rabbit served as the control. The
treated eyes of three animals were irrigated with
20 ml of water four seconds following instillation,
while the treated eyes of the six remaining animals
were not irrigated but were held closed for 30
seconds following instillation. Throughout the
study, food and water were available at all times
and animals were housed individually. Test animals
weighed between 1.8 and 3.5kg at the start of the
study. The age of the animals and the statistics
used to evaluate the data were not reported. The
general health of each rabbit was examined for
irritation of the cornea, iris and conjunctiva at 1
and 4 hours and on days 1, 2, 3, 4 and 7. Ocular
reactions were graded according to the Draize
Standard Eye Irritation Grading Scale.

Results: Maximum total Draize score = 10

Remarks: There were no animal deaths prior to study


termination. The animals exhibited normal
appearance and behavior throughout the study and
gained weight. The test material produced a very
slight degree of irritation in the three irrigated
eyes and in four of the non-irrigated eyes. The
two remaining non-irrigated eyes showed no signs of

548 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
irritation at any time during the study. At 24
hours and for the duration of the observation
period, the treated eyes of all animals appeared
normal.

Reliability: (1) Reliable without restrictions

References: Hazleton Laboratories, Inc. (1961) Acute Oral


Administration - Rats, Acute Dermal Application -
Rabbits, Acute Eye Application - Rabbits, Acute
Inhalation Exposure - Mice, Rats, Guinea Pigs;
Performed for Esso Research and Engineering Co.
(unpublished report).

(2) Test Substance: CAS No. 112-41-4, 1-Dodecene (C12 alpha olefin)

pH: Not applicable

Method: No data
Test Type: in vivo
GLP: No
Year: No data

Test Conditions

Species: Albino rabbits


Strain: New Zealand White
Sex: Not reported
Number of animals
per dose: 6
Dose(s) used: 0.1 ml (neat)
Vehicle: None
Observation period: 24 hrs, 48 hrs, 72, hrs and 7 days
Scoring method used: Draize

Results: Individual animal scores at 24 hours are listed in


the table below.
Structure Score Mean
Rabbit Number
1 2 3 4 5 6
Cornea 5 0 0 0 0 0 2.5/110
Iris 0 0 0 0 0 0
Conjunctiva 2 2 0 2 4 0
All remaining scores at 48 and 72 hours were zero.

Reliability: (2) Reliable with restrictions Complete set of


raw data not reported

Reference: Carter, G. (1976) A report on the acute toxicity


of Alpha Olefin C12, Ethyl Corporation, August
(unpublished report).

Other: This study was included in the dossier for


1-dodecene at SIAM 11. Additional information has
been added.

5.4 Skin Sensitisation

UNEP PUBLICATIONS 549


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
A. Test Substance: C10-13 Alpha Olefins

Remarks: Blend of CAS No. 872-05-9 (C10 = 11.2%); CAS No. 821-95-
4 (C11 = 30%); CAS No. 112-41-4 (C12 = 26%); CAS No. 2437-
56-1 (C13 = 23.6%); (C14 = 9.5%)

Method: Magnusson and Kligman


Test Type: challenge
GLP: No
Year: 1977

Test Conditions

Species: Guinea pig


Strain: P strain
Sex: male and female
Number of animals
per sex per dose: 10 in test group; 5 each in control group

Route of
administration: Injection and Topical

Intradermal
Induction conc.: 0.05%
Induction vehicle: corn oil
Topical
Induction conc.: 1.5%
Induction vehicle: corn oil
Challenge conc.: 10%
Challenge vehicle: corn oil

Method remarks: A preliminary screen was carried out using groups of 2


male and 2 female guinea pigs to determine the
concentrations of test material to be used for
intradermal induction, topical induction and topical
challenge.

Induction was accomplished in 2 stages, intradermal


injection and a topical application. Two rows of 3
injections were made: 2 of 0.1 ml Freund’s complete
adjuvant (FCA), 2 of 0.1 ml test material in solvent
(solvent), and 2 of 0.1 ml test material in 50:50
FCA/solvent. The injection sites were just within the
boundary of a 4x4 cm shaved area.

One week after the intradermal injections the same area


was clipped. A 4x4 cm patch of Whatman No. 3 filter
paper was soaked in a solution of the test material,
placed over the injection sites of the experimental
animals and covered by overlapping plastic adhesive tape
(Blendaderm). This was secured with elastic adhesive
bandage (Poroplast). The dressing was left in place for
48 hours.

The challenge procedure was carried out 2 weeks after


topical induction. Challenge was accomplished by
topical application of the challenge solution of the
test material to the flank of both test and control
groups of animals. 3x3 cm area on the flank was
clipped and shaved. A 2.5x2.5 cm patch of Whatman No. 3

550 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
filter paper was soaked in a solution of the test
material, placed over the injection sites of the
experimental animals and covered by overlapping plastic
adhesive tape (Blendaderm). This was secured with
elastic adhesive bandage (Poroplast). The dressing was
left in place for 24 hours. Examination of the
challenge site was immediately, 24 and 48 hours after
removal of the dressing.

Results: Negative for sensitization

Results Remarks: Number of animals with skin reaction at challenge:


0/10
Number of animals with skin reaction in control group at
challenge: 0/10.

Reliability: (1) Reliable without restrictions

Reference: Cassidy, S.L., Clark, D.G. (1977) Toxicology of alpha


olefins: Acute toxicity, skin and eye irritancy and
skin sensitizing potential of alpha olefin 103 PQ 11.
Sittingbourne, Shell Research Limited, TLGR.0.171.77
(unpublished report).

B. Test Substance: C12-16 Alpha Olefin Fraction (GULFTENE 12-16)

Remarks Blend of linear 1-dodecene (CAS No. 112-41-4), 1-


tetradecene (CAS No. 1120-36-1), and 1-hexadecene (CAS
No. 629-73-2). Composition of the blend was undefined in
the report; analysis of other contemporary GULFTENE 12-
16 blends showed 65-80% C12, 16-25% C14, and 4-5% C16

Method: Landsteiner technique


Test Type: challenge
GLP: No
Year: 1967

Test Conditions
Species: Albino guinea pig
Strain:
Sex: Males
Number of animals
per sex per dose: 10

Route of
administration: Topical

Induction conc.: 100% for test substance


Induction vehicle: None for test substance, 50% ethyl alcohol for
positive control
Challenge conc.: 100% for test substance
Challenge vehicle: None for test substance, 50% ethyl alcohol for
positive control
Grading system used: Not specified

Method remarks: Three groups of ten male albino guinea pigs weighing
300-350 g each were used. A positive control group was
exposed to 0.5% chlorodinitrobenzene in 50% ethyl

UNEP PUBLICATIONS 551


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
alcohol in water. A second group was exposed to 50%
ethyl alcohol only. The other group received olefin
test article. Test sites on the backs of the animals
were clipped and light abrasions of the outer dermal
layer were made with a needle. 0.1 ml test article
was applied to the test sites from a dropper and rubbed
into the skin with a glass rod, three times weekly for
nine applications. Type of dressing was not specified.
Observations for erythema and edema were made 24 hours
after applications. After the ninth application,
animals were rested for two weeks. They were then
challenged with 0.1 ml of test article or 0.5%
chlorodinitrobenzene in 50% ethanol-water (the ethanol
control animals also received chlorodinitrobenzene).

Results: Animals treated with C12-16 Alpha Olefin Fraction were


not sensitized

Grades: See Remarks

Remarks: Only slight erythema was seen in one animal exposed to


the alpha olefin after the eighth application and in two
animals after the ninth application; no edema was seen.
Animals exposed to alcohol showed no reactions at any
time point. The positive control animals showed
moderate erythema in all animals after the third
application, and mild edema in half the animals after
the seventh application. During the 2-wk rest interval,
signs of erythema and edema disappeared from all
animals.

Twenty-four hours after the challenge, alpha olefin


treated animals showed no response. The positive
control group showed severe erythema in all animals. The
animals pre-treated with alcohol given
chlorodinitrobenzene as a challenge for comparison with
the positive control group showed only a very slight
erythema in 2 animals.

Reliability: (1) Reliable without restrictions

Reference: Rinehart, W.E. (1967) Toxicological Studies of Several


Alpha Olefins Conducted by Department of Occupational
Medicine, University of Pittsburgh, Pittsburgh,
Pennsylvania, for Gulf Research and Development Company
(unpublished report).

Other: This study was included in the dossier for 1-dodecene at


SIAM 11. Additional information has been added.

5.5 Repeated Dose Toxicity

Test Substance

Identity (purity): C12-16 Alpha Olefin Fraction (GULFTENE 12-16)

Remarks: Blend of linear 1-dodecene (CAS No. 112-41-4), 1-tetradecene


(CAS No. 1120-36-1), and 1-hexadecene (CAS No. 629-73-2).

552 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
Composition of the blend was undefined in the report; analysis
of other contemporary GULFTENE 12-16 blends showed 65-80% C12,
16-25% C14, and 4-5% C16

Method

Method/guideline:
Test type: Subacute toxicity
GLP: Yes
Year: 1983
Species: Rat
Strain: Fischer 344
Route of
Administration: Dermal

Duration of test: 2 weeks


Doses: 0, 1.0, and 2.0 g/kg/day
Sex: Males and females
Exposure period: 2 weeks
Frequency
of treatment: Once daily for 9 doses over 2-wk period

Control group
and treatment: Concurrent vehicle control (5 M, 5 F, corn oil)

Post exposure
observation period: None

Statistical methods: Organ weights: Bartlett’s test and one-way


analysis of variance; if the Bartlett’s test indicated
the data were homogeneous, Dunnett’s test was also
performed; if the Bartlett’s test indicated the data
were non-homogeneous, a modified t-test was performed.
Histopath: Kolmogorov-Smirnov Two-Tail Test (0.05 level
of significance)

Test Conditions:
Animals were approximately 7 weeks of age and weighing 90-120
g at study initiation. Prior to treatment, the backs of all
animals were clipped free of hair. To prevent ingestion of the
test substance, each animal was fitted with an Elizabethan
collar. The collar remained on the animals until removal of
residual test/control substance. Dermal doses of 2.0 g/kg
(undiluted) or 1.0 g/kg (diluted 1:1 with corn oil prepared
weekly) of GULFTENE 12-16 were administered to groups of 5
males and 5 female Fischer 344 rats, in 9 daily doses over a
2-wk period. An equivalent volume of the vehicle was
administered to the control group. The treated area was
approximately 10% of the body surface. Approximately 6 hrs
following each application, residual test substance was wiped
from the application site. Parameters evaluated for treatment-
related effects included survival; body weight (weekly); food
consumption (weekly); appearance and behavior (at least once
daily on dosing days); dermal reaction (according to the
method of Draize on each dosing day prior to dosing and after
removal of residual material); hematology (blood samples
collected via orbital sinus) and clinical chemistry (collected
prior to treatment and necropsy); organ weights, organ weight
ratios relative to body and brain weights (liver, brain,
spleen, heart, kidney, testes); gross pathology, and

UNEP PUBLICATIONS 553


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
microscopic pathology (control and high-dose animals only:
lungs, skin, liver, brain, spleen, heart, kidney, testes,
ovaries). All animals were sacrificed approximately 24 hrs
after the ninth treatment by inhalation of methoxyflurane.

Results

NOAEL (NOEL): NOAEL: 1g/kg/day (systemic) [By summary author – study authors
did not declare a NOAEL]
LOAEL: 2 g/kg/day (systemic) [By summary author – study
authors did not declare a NOAEL]

Remarks: All animals survived to the end of the study and no moribund
animals were observed during the study.

Repeated application of undiluted GULFTENE 12-16 at 2.0 g/kg


produced severe erythema (beet redness) to slight eschar
formation (injuries in depth) and slight edema (edges of area
well defined by definite raising) in all animals. Dermal
reactions increased in severity with the number of
applications. In all animals, slight to moderate desquamation
was detected after the second treatment and persisted until
the end of treatment. Slight to moderate hair loss was
detected in 8/10 animals after the eighth treatment. Fissuring
was also noted in 4 female animals after 6 treatments.

When GULFTENE 12-16 was administered at a 1.0 g/kg level, 2


males exhibited very slight erythema (barely perceptible)
after 6 treatments and a third male after seven treatments. In
one of the 3, the intensity of the erythema increased to
slight and a pinpoint spot of eschar was observed after the
seventh treatment. All reactions persisted throughout the
study period. No edema or other reactions were noted.

In comparison to controls, depressed body weight gains were


observed in the 2.0 g/kg group but not in the 1.0 g/kg group.
In the 2.0 g/kg group, means for males and females increased
by 25.6 g and 22.8 g, respectively, while means for control
males and females increased by 52.3 g and 28.8 g,
respectively, over the study period.

In the 2.0 g/kg group, the decreases in bodyweight were


associated with decreases in the absolute weights of most
organ systems (mean, treated vs control):

− liver: males = 6.35 g vs 7.99 g [p = 0.01]


− brain: females = 1.56 g vs 1.60 g [p = 0.05]
− spleen: males = 0.39 g vs 0.43 g [p = 0.05]
− heart: males = 0.55 g vs 0.65 g [p = 0.01]
− kidney, left: males = 0.59 g vs 0.64 g [p = 0.05]
− kidney, right: not sig. different from control
− testes: not sig. diff. from control

In the 2.0 g/kg group, the changes in body and organ weights resulted in
statistically significant differences in the relative weight ratios for
several organs (mean ratio in treated vs control):

554 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
− brain: males = 1.24 vs 1.04 [p = 0.01]
− spleen: males = 0.29 vs 0.27 [p = 0.01] and females =
0.32 vs 0.29 [p = 0.01]
− kidney, left: males = 0.45 vs 0.40 [p = 0.01] and
females = 0.47 vs 0.42
− kidney, right: males = 0.45 vs 0.39 [p = 0.01] and
females = 0.47 vs 0.43 [p =0.05]
− testes: not sig. diff. from control

In the 2.0 g/kg group, the changes in body and organ weights
resulted in statistically significant differences in the
organ/brain weight ratios (mean ratio in treated vs control):

− liver: males = 3.97 vs 4.78 [p = 0.05]


− heart: males = 0.33 vs 0.39 [p = 0.05]
− kidney, left: males = 0.36 vs 0.38 [p = 0.05]

No treatment related effects were noted for food consumption,


clinical signs (other than dermal reactions), hematology, and
clinical chemistry. Treatment was associated with histological
changes in the skin at the point of application in all
animals. There were no other microscopic changes seen that
could be associated with the test substance.

Study authors concluded that, under conditions of the study,


repeated dermal applications of GULFTENE 12-16 at 2.0 g/kg,
but not at 1.0 g/kg, caused severe skin reactions and
depressed body weight gains.

Reliability: (1) Reliable without restrictions.

References: Gulf Life Sciences Center (1983) Two-Week Repeated Dose


Toxicity Study in Rats Using GULFTENE 12-16, Project No. 82-
059. Conducted for Gulf Oil Chemicals Company (unpublished
report).

5.6 Genetic Toxicity in vitro

A. Gene Mutation

(1) Test Substance

Identity (purity): CAS No. 112-41-4, 1-Dodecene (C12 alpha


olefin)

Method

Method/guideline: No data
Type: in-vitro bacterial reverse mutation – Ames Assay
System of testing: bacterial
GLP: No
Year: 1980
Species/Strain: Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538, and Escherichia coli WP2 or WP2
uvrA
Metabolic activation: With and without S9 fraction from induced
rat livers

UNEP PUBLICATIONS 555


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
Concentrations tested: 0, 0.2, 2.0, 20, 200 and 2000 µg/plate
Statistical Methods: The mean and SD of the colony counts from
cultures derived from each flask were computed by
standard methods.

Test Conditions: 20 ul volumes of solutions of Olefin 103 PQ/11 in


ethanol/Tween 80 (1.5625, 3.125. 6.25, 12.5, 50,
100 mg/ml) or 40 ul of 100 mg/ml were added to top
agar mix to give final solutions of 31.25, 62.5,
125, 250, 500, 1000, 2000 and 4000 µg/plate both
in the presence and in the absence of rat liver S9
fractions. The cultures were incubated at 37oC
for 48-72 hours before the revertant colonies were
counted.

Results

Cytotoxic conc.: No cytotoxicity observed


Genotoxic effects: Negative with and without metabolic
activation

Remarks: The test material did not lead to an increase in


reverse mutation frequency in any strain. The
test material did not lead to an increase in
reverse mutation frequency in any strain. No
visible precipitation of the test compound was
observed in the top agar overlay. Microscopic
examination of the background lawn in the plate
incorporation assay showed no reduction in growth
in any of the strains tested. All positive and
negative controls responded in a manner consistent
with data from previous assays

The addition of the test material at amounts up to


4000 ug per plate to agar layer cultures of
Salmonella typhimurium TA98, TA100, TA1535,
TA1537, TA1538, and Escherichia coli WP2 or WP2
uvrA did not lead to an increase in the reverse
gene mutation frequency in any of t he strains
either in the presence or absence of rat liver S9
fractions.

The activity of the S9 mix and the sensitivities


of the strains TA1538, TA98 and TA100 were
monitored by treating cultures with a known
positive control compound, benzo (a) pyrene, with
requires metabolic activation before it is able to
induce gene mutation. The sensitivity of TA1537
was monitored by the indirect mutagen, neutral
red; the sensitivities of E. coli WP2 or WP2 uvrA
pkm 101 and TA1535 were monitored by testing with
the direct-acting mutagens potassium dichromate or
sodium azide respectively.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint.

556 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
References: Dean, B.J. (1980) Toxicity studies with detergent
intermediates: In vitro genotoxicity studies with
Shop process components. Shell Research Limited,
TLGR.80.074 (unpublished report).

Other: This study was included in the dossier for 1-


dodecene at SIAM 11. Additional information has
been added.

(2) Test Substance

Identity (purity): C12-16 Alpha Olefin Fraction (GULFTENE 12-


16)

Remarks Blend of linear 1-dodecene (CAS No. 112-41-4), 1-


tetradecene (CAS No. 1120-36-1), and 1-hexadecene
(CAS No. 629-73-2). Composition of the blend was
undefined in the report; analysis of other
contemporary GULFTENE 12-16 blends showed 65-80%
C12, 16-25% C14, and 4-5% C16

Method

Method/guideline: Equivalent to OECD 476 except that a confirmatory


assay was not conducted
Type: Mammalian cell gene mutation assay
System of testing: non-bacterial
GLP: Yes
Year: 1982
Species/Strain: Chinese Hamster Ovary Cell (CHO-K1) received from
Dr. J.P. O’Neill, Oak Ridge National Laboratories,
Oak Ridge, Tennessee.
Metabolic activation: With and without S9 fraction of livers from
rats pretreated with Aroclor 1254; protein
concentration = 10 mg/ml; 0.3 ml S9/flask
Concentrations tested: 128, 512, 1024, and 2048 ug/mL; Doses were
based on a pre-test for toxicity
Statistical Methods: The mean and SD of the colony counts from
cultures derived from each flask were computed by
standard methods. Relative Survival: mean colony
count in treated cultures ÷ by mean count in
control cultures. Cloning Efficiency: mean colony
count in each group ÷ by number of cells seeded
per plate. Frequency of Mutant Colonies: ratio
of total colony counts in the mutagenicity plates
over total colony counts in the viability plates;
group mean calculated. The frequency of mutant
colonies per million clonable cells in the treated
and vehicle control cultures were compared using
Student’s t test. A test was considered positive
if there was a significant increase in mutant
colonies at any dose level and a dose-related
response.

Test Conditions: The test substance was emulsified with 10% F68
Pluronic® Polyol in water and subsequently diluted
with medium to a dosing preparation of 6% F68.
Water was the vehicle for the direct acting
positive control (ethylmethanesulfonate, 100 µg/ml
in culture flask). DMSO was the vehicle for

UNEP PUBLICATIONS 557


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
positive control cultures requiring metabolic
activation (benzo(a)pyrene, 4 µg/ml in culture
flask).

Cells were maintained in 5 ml Ham’s F12 Medium (no


hypoxanthine) with 5% dialyzed heat-inactivated
newborn calf serum. During treatment the serum was
omitted, HEPES buffer and antibiotic were included
and the volume limited to 3 ml/flask. Where
indicated, activating enzymes were included. After
treatment, cultures were maintained in Ham’s F12
(no hypoxanthine) with 5% dialyzed heat-
inactivated newborn calf serum and antibiotics.
For selection of mutant cells, 10-5 M 6-thioguanine
was included. Incubation was in a CO2 enriched
(5%) humidified (95%) atmosphere at 37.5°C except
that during exposure the sealed cultures were
placed in a shaker incubator at 37°C.

RANGEFINDING: Approx. 5 x 105 cells seeded to


each of 2 flasks/treatment (1 w/S9; 1 w/o S9);
exposed to test substance at 4 – 2,048 µg/ml for 5
hrs on Day 2; on Day 3 tripsinized and counted
with a Coulter Model ZB cell counter and
subcultured (200 cells transferred to each of 3
60 mm culture dishes); incubated to Day 10/11;
fixed in methanol and stained with Giemsa;
colonies counted visually or with Artek Model 981
counter.

MUTAGENICITY: Each dose group was composed of 6


flasks, 3 w/S9, except that the vehicle group
contained 12 flasks, 6 w/S9. The concentrations of
test substance were 4, 16, 128, 512, 1024, and
2048 µg/ml. Control cultures received F68, medium,
S9 mix or F68 with positive control. Sufficient
cells were seeded to give approx. 1 million cells
on Day 2 and exposed to test substance for 5 hrs
on Day 2; on Day 3 all cultures were checked for
evidence of cytotoxicity, and those showing
excessive toxicity terminated. VIABILITY: 4 dose
levels were subcultured (200 cells were
transferred to each of 4 60 mm viability plates)
and incubated to Day 10/11, fixed in methanol and
stained with Giemsa, and colonies counted visually
or with Artek Model 981 counter. MUTAGENICITY:
105-106 cells seeded to 100 mm dish on Day 3 for
expression; subcultured 3 times, the last on Day
10/11; 200 cells seeded to each of 4 viability
plates as above, and 2 x 105 cells seeded to each
of 5 mutagenicity plates in selective medium;
cultures incubated undisturbed until Day 16/18,
when they were fixed and stained.

Results

Cytotoxic conc.: ≥ 1024 µg/ml


Genotoxic effects: Negative with and without metabolic
activation

558 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
Remarks: RANGEFINDING: Some toxicity was evident at 2048
µg/mL without activation [cell count after
treatment (x 105/ml) = 6.6, 6.6, 6.1, 6.4, 6.2,
5.8, 2.8 for concentrations of GULFTENE 12-16 of
0 (vehicle), 64, 128, 256, 512, 1024, and 2048
µg/ml, respectively]; and with activation [cell
count after treatment (x 105/ml) = 4.1, 4.0, 2.9,
3.4, 3.4, 3.5, 2.9, 2.0 for concentrations of
GULFTENE 12-16 of 0 (vehicle), 32, 64, 128, 256,
512, 1024, and 2048 µg/ml, respectively]. Toxicity
was within acceptable limits.

DEFINITIVE TEST: A toxic effect was noted in that


there were insufficient cells after treatment to
subculture at 1 X 106 per dish at the 1024 and
2048 levels without activation and that cultures
with activation also showed immediate toxicity at
those levels [cell counts after treatment (x
105/ml) = 5.1, 5.1, 4.4, 2.8, and 2.1 at
concentrations of 0 (vehicle), 128, 512, 1024, and
2048 µg/ml, respectively]. Colony counts after
subculture showed that cells which were used to
determine the mutagenic effect were able to grow
and had recovered from the initial toxic effect.
Cloning Efficiency after treatment = 64% and 56%
at 2048 µg/ml (w/o and w/S9, respectively).
Relative Survival after treatment = 83% and 68% at
2048 µg/ml (w/o and w/S9, respectively). Cloning
Efficiency after expression = 82% and 86% at 2048
µg/ml (w/o and w/S9, respectively). Relative
Survival after expression = 97% and 100% at 2048
µg/ml (w/o and w/S9, respectively). The
frequency of mutant colonies was increased to
expected values in the two positive control groups
indicating the assay was functional. There were
no increases over control in frequency of mutant
colonies when cultures were treated with test
article.

Reliability: (2) Reliable with restrictions: Confirmatory assay


was not conducted.

References: Gulf Life Sciences Center, Pittsburgh,


Pennsylvania (1983) CHO/HGPRT Test: GULFTENE 12-
16, Project 82-102. Conducted for Gulf Oil
Chemicals Company (unpublished study).

Other: This study was included in the dossier for


1-dodecene at SIAM 11. Additional information has
been added.

B. Chromosomal Aberration

Test Substance

Identity (purity): CAS No. 112-41-4, 1-Dodecene

Method

UNEP PUBLICATIONS 559


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
Method/guideline: No data
Type: in-vitro rat liver cell chromosome aberration assay
System of testing: non-bacterial
GLP: Yes
Year: No data
Type of cell used: Rat liver RL1 cells
Metabolic activation: No
Concentrations tested: up to 500 µg/ml
Statistical Methods: No data

Test Conditions: The range of concentrations of the test compound to be


used to assess the cloning efficiency was determined
from the results of the initial assay. For each
concentration, including the solvent control, three 9 cm
diameter Petri dishes were used. Five hundred RL4 cells
were added to each dish and cells were incubated in 10
ml tissue culture medium at 37oC in a humidified
atmosphere containing 5% CO2. Twenty-four hours after
adding the cells, the medium was replaced with medium
containing the compound or solvent, which was replaced
with fresh medium after 24 hours exposure. Five days
later the cells were fixed and stained. Colonies
containing at least 50 cells were counted. The
concentration of the test compound that reduced the
number of colonies to an average of approximately 50% of
those on the dishes exposed to solvent only was used as
the highest concentration in the chromosome assay.

Results

Cytotoxic conc.: No cytotoxicity observed


Genotoxic effects: Negative

Remarks: A single exchange figure was observed but this occurred


on one untreated control culture. Since no dose related
increase in frequency of chromatid gaps, chromatid
breaks or total chromatid aberrations were observed, it
is concluded that alpha C12 product did not induce a
direct cytogenetic effect in cultured RL1 cells.

There was no significant increase in the frequency of


chromatid gaps, chromatid breaks or total chromatid
aberrations in rat liver (RL4) cell cultures exposed to
the test material at concentrations up to 25 ug per ml.

All positive and negative controls responded in a manner


consistent with data from previous assays.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Dean, B.J. (1980) Toxicity studies with detergent


intermediates: In vitro genotoxicity studies with Shop
process components. Shell Research Limited, TLGR.80.074
(unpublished report).

Other: This study was included in the dossier for 1-dodecene at


SIAM 11. Additional information has been added.

560 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005

C. Other Genetic Effects

(1) Test Substance

Identity (purity): C12-16 Alpha Olefin Fraction (GULFTENE 12-16)

Remarks Blend of linear 1-dodecene (CAS No. 112-41-4), 1-


tetradecene (CAS No. 1120-36-1), and 1-hexadecene
(CAS No. 629-73-2). Composition of the blend was
undefined in the report; analysis of other
contemporary GULFTENE 12-16 blends showed 65-80%
C12, 16-25% C14, and 4-5% C16

Method

Method/guideline: OECD 482 except that independent repeat was not


conducted
Type: In-vitro unscheduled DNA synthesis
System of testing: Non-bacterial
GLP: Yes
Year: 1984
Cell line: Primary rat hepatocytes
Metabolic activation: None
Concentrations tested: Rangefinding experiment: 8, 16, 32, 64, 128,
256, 512, 1024, 2048 and 5000 µg/ml
UDS experiment: 100, 1000, 2000 and 4000 µg/ml
Statistical Methods: The test substance was considered positive
for unscheduled DNA synthesis (UDS) when the mean
net nuclear grain count at any treatment level
exceeded that of the concurrent negative control
by at least 6 grains per nucleus, and the value
for the negative control did not exceed 5. A dose
response was not needed.

Test Conditions: Primary cultures of hepatocytes from livers of


freshly perfused F344 rats were exposed to the
test substance in the presence of 3H-thymidine.
Cytotoxicity was evaluated in a separate assay and
used as a basis for dosage selection. The
occurrence of UDS was visualized
autoradiographically and quantified with the aid
of microscopy.

A 10% solution of Pluronic® F68 Polyol in water


was used to emulsify the test substance. This was
diluted with medium so that the concentration of
F68 in the dosing preparations was 3.5% . Dosing
preparations were added to the cultures in
aliquots of 30 or 50 ul. This produced a culture
concentration of 0.035% F68. The positive control
was 2-acetylaminofluorene (2-AAF) prepared using
DMSO and Pluronic F68 Polyol and administered at
0.2 ug/ml 2-AAF in the final culture.

The cells were grown in 3 ml (UDS) or 5 ml


(rangefinding) Williams Medium E supplemented with
10% fetal bovine serum and insulin. Antibiotics
were included. During the exposure period, 0.1M
HEPES buffer, 2% by volume, and 0.1N HCL, 1% by

UNEP PUBLICATIONS 561


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
volume, were present in the medium. The cells were
cultured in plastic vessels. Incubation was in a
carbon dioxide-enriched (5%), humidified
atmosphere at 37°C. During the exposure period,
cultures were sealed.

RANGEFINDING EXPERIMENT: In the rangefinding


experiment, hepatocytes were harvested from one
male rat aged 11 weeks and weighing 250 g. Two
cultures each were prepared for the negative
control, vehicle control and 10 levels of test
substance. Approximately 1 x 105 cells/ml were
seeded into each treatment culture and exposed to
the test substance for 18 hours. The cells were
then stained with trypan blue, fixed with
formalin, and counted for viability
determination. The culture vessel was taken as
the experimental unit. The average number of
viable cells per treatment group was determined.
The relative viability was then calculated as the
average number of viable cells in substance-
treated cultures divided by that in the vehicle
control cultures. For the evaluation of toxicity,
at least 50% viability was desired. The final
choice of treatment levels was based on the
expectation that at least one level showed
toxicity.

UDS EXPERIMENT: In the UDS experiment,


hepatocytes were harvested from 1 male rat aged 13
weeks and weighing 270 g. Three cultures each
were prepared for the negative control, vehicle
control, positive control, and 4 levels of test
substance. Approximately 1 x 105 cells/ml were
seeded into each treatment culture and exposed to
3
H-thymidine and test substance for 18 hours.
Cells growing on coverslips were rinsed, exposed
to hypotonic solution, fixed, air dried and glued
to microscope slides on Day 2. On Day 3, the
slides were dipped in autoradiographic emulsion
and stored in the dark at 2-8°C. Autoradiographs
were developed, stained and coversliped on Day 13.
The number of grains overlying each of 50 randomly
selected nuclei per slide was counted
microscopically. The highest of 3 cytoplasmic
grain counts per cell was subtracted to obtain the
net nuclear grain count. The individual slide was
taken as the experimental unit. The average net
nuclear grain count per slide (sum of net nuclear
grain counts divided by 50) was calculated and the
mean net nuclear grain count (average net nuclear
grain count per slide divided by 3) was determined
for each treatment level.

Results

Cytotoxic conc.: 256 µg/ml

Genotoxic effects: Negative

562 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
Remarks: In the rangefinding experiment, GULFTENE 12-16
was toxic to primary hepatocytes beginning at 256
µg/ml where 74% relative viability was observed
following an 18-hr exposure period. Cytotoxicity
increased only slightly with increasing dose to
2048 µg/ml and then increased sharply at the
highest dose tested, 5000 µg/ml, where a relative
viability of 45.1% was observed. In the UDS
experiment, both positive and negative controls
gave the expected responses. No treatment level
elicited a positive response for UDS.

Reliability: (2) Reliable with restrictions: Confirmatory assay


not conducted

References: Gulf Life Sciences (1984) Hepatocyte Primary


Culture/DNA Repair Test of GULFTENE12-16, project
#2069 (unpublished report).

Other: This study was included in the dossier for


1-dodecene at SIAM 11. Additional information has
been added.

(2) Test Substance

Identity (purity): C12-16 Alpha Olefin Fraction (GULFTENE 12-16)

Remarks Blend of linear 1-dodecene (CAS No. 112-41-4), 1-


tetradecene (CAS No. 1120-36-1), and 1-hexadecene
(CAS No. 629-73-2). Composition of the blend was
undefined in the report; analysis of other
contemporary GULFTENE 12-16 blends showed 65-80%
C12, 16-25% C14, and 4-5% C16

Method

Method/guideline: Equivalent to US EPA TSCA 40 CFR 795.285 and ECC


B21, except that a confirmatory assay was not
conducted
Type: BALB/3T3 Transformation Test
System of testing: Non-bacterial
GLP: No
Year: 1983
Cell line: Mouse embryo cells, BALB/3T3-A31-1-1
Metabolic activation: None
Concentrations tested: Rangefinding experiment: 8, 16, 32, 64, 128,
256, 512, 1024, 2048 and 5000 µg/ml
Transformation experiment: 10, 20, 30 and 1500
µg/ml
Statistical Methods: A test was considered positive if there
were: 1) a two-fold increase in Type-III foci at
the highest dose over that seen in vehicle control
cultures, with or without a dose-related response
or 2) a two-fold increase at two or more
consecutive dose levels. Where vehicle control
cultures have no Type-III foci, at least 2 foci
would be needed for a dose level to be considered
positive.

UNEP PUBLICATIONS 563


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
Test Conditions: Cytotoxicity was evaluated in a separate assay and
used as a basis for dosage selection.

A 10% solution of Pluronic® F68 Polyol in water


was used to emulsify the test substance. This was
diluted with medium so that the concentration of
F68 in the dosing preparations was 3.5%. Dosing
preparations were added to the cultures in
aliquots of 50 µl. This produced a culture
concentration of 0.035% F68. The positive control
was 3-methylcholanthrene (3-MC) prepared using
DMSO and Pluronic® F68 Polyol and administered at
1 µg/ml 3-MC in the final culture.

The cells were received from Dr. Takeo Kakunaga,


National Cancer Institute, at Passage 14 after
origination of the subclone. The cells were
subcultured once, tested for presence of
adventitious infectious agents and for capability
to respond to known transforming agents, and
frozen. Cultures used in testing were less than 4
additional passages from frozen stock. The cells
were grown in 5 ml Eagle’s Minimum Essential
Medium supplemented with 10% heat-inactivated
fetal calf serum. Antibiotics were included.
Incubation was in a carbon dioxide-enriched (5%),
humidified atmosphere at 37°C.

RANGEFINDING EXPERIMENT: Each treatment group


(medium, vehicle, and 10 levels of test substance)
consisted of two cultures. Approximately 1 x 104
cells were seeded into each treatment flask on Day
1. The cultures were exposed to the test substance
for 2 days, beginning on Day 2, then trypsinized
and counted on Day 4 with a Coulter Model ZB cell
counter. The culture vessel was taken as the
experimental unit. The average number of surviving
cells per treatment group was determined. The
relative survival was then calculated as the
average number of surviving cells in substance-
treated cultures divided by that in the vehicle
control cultures. For the evaluation of toxicity,
at least 20% survival was desired. The final
choice of treatment levels was based on the
expectation that at least one level showed
toxicity.

TRANSFORMATION EXPERIMENT: Each group (medium


control, vehicle control, positive control, and 4
levels of test substance) consisted of 15 flask
cultures for transformation and 2 flask cultures
for cloning. Transformation flasks were seeded
with approximately 1 x 104 cells and cloning
flasks with approximately 100 cells on Day 1. The
cells were exposed to test substance for 2 days
beginning on Day 2. The medium was changed on all
cultures on Day 4. Cloning cultures were fixed and
stained for colony counting on Day 8. Colonies (at
least 50 cells) were counted visually and, where
required, examined microscopically. The medium was
changed weekly on all transformation flask

564 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
cultures. Fixation and staining of flask cultures
for focus counting and evaluation were on day 29.
Foci were counted visually and examined
microscopically to determine type.

The cloning efficiency was determined by dividing


the average number of colonies (at least 50 cells)
per flask by the number of cells seeded and
converting to a percent. The relative cloning
efficiency was determined by dividing the cloning
efficiency for each treatment group by the cloning
efficiency for the vehicle control, and converting
to a percent. The transformation frequency for
each group was the total number of Type III foci
divided by the total number of flasks per group.

Results:

Cytotoxic conc.: Concentrations of >20 µg/ml were cytotoxic


Genotoxic effects: Negative

Remarks: In the rangefinding experiment, GULFTENE 12-16 was


toxic to BALB/3T3 cells at 32 ug/ml when 16%
viability was observed following a 2-day exposure
period. Viability remained at this level up to a
dose of 2048 µg/ml. At 5000 µg/ml, the relative
viability was reduced to 1.3%.

In the transformation experiment, cloning


efficiency was used as a measure of toxicity.
Toxicity became evident at 20 µg/ml (27% relative
cloning efficiency) and remained near this level
through the highest dose tested, 1500 µg/ml.. The
positive control gave the expected response. The
negative controls were within acceptable limits
for the test. No treatment level exceeded the
medium controls for Type III foci. Under the
conditions of the test, GULFTENE 12-16 was
negative for cell transformation.

Reliability: (2) Reliable with restrictions: Confirmatory assay


not conducted

References: Goode, J.W. and Brecher, S. (1983) GULFTENE 12-


16: BALB/3T3 transformation test, Project 2070.
Sponsored by Gulf Life Sciences Institute,
Pittsburg, PA (unpublished report).

Other: This study was included in the dossier for


1-dodecene at SIAM 11. Additional information has
been added.

(3) Test Substance

Identity (purity): C11-12 Alpha Olefins (Blend not specified)

Remarks: Blend of CAS No. 821-95-4 (C11) and CAS No. 112-41-
4 (C12)

UNEP PUBLICATIONS 565


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
Method

Method/guideline:
Type: in-vitro mitotic gene conversion assay
System of testing: non-bacterial
GLP: Yes
Year: 1981
Species/Strain: Saccharomyces cerevisiae JD1

Metabolic activation: With and without S9 fraction from induced


rat livers

Concentrations tested: 0, 0.01, 0.1, 0.5, 1.0, and 5.0 mg/L

Statistical Methods: Reproducible values of greater than twice


the control value are considered to indicate a
mutagenic response.

Test Conditions: Number of replicates: 2 per concentration;


Solvent: acetone; Positive control materials:
cyclophosphamide (10 mg/ml) or 4-nitroquinoline-N-
oxide (0.001 or 0.0001 mg/ml). Liquid suspension
cultures of Saccharomyces cerevisiae JD1 were
dosed with 20 µl (without S9 mix) or 25 µl (with
S9 mix) of appropriate solutions or suspensions of
C11-12 olefins to give final concentrations of
0.01, 0.1, 0.5, 1.0, and 5.0 mg/ml. After 18
hours incubation at 30°C the cultures were seeded
onto the appropriate culture media plates for the
selections of revertant colonies. After 3 days
incubation at 30°C the numbers of revertant
colonies on the plates were counted.

Results

Cytotoxic conc.: No cytotoxicity observed


Genotoxic effects: Negative with and without metabolic activation

Remarks: The addition of Olefin C11-12 to liquid suspension


cultures of S. cerevisiae JD1, with or without the
incorporation of rat liver S9 fraction, did not
induce a consistent increase in mitotic gene
conversion. The increases seen were not
repeatable, nor dose-related and were therefore
not considered to be an effect of the compound.

All positive and negative controls responded in a


manner consistent with data from previous assays.

Reliability: (1) Reliable without restrictions

References: Brooks, T.M. (1982) Toxicity of detergents/higher


olefins: In vitro genotoxicity studies on Shop
products (olefins C11 – C12 and C13 – C14, olefin
HE bleed and olefin intermediate recycle).
Sittingbourne, Shell Research Limited, SBGR.81.325
(unpublished report).

Other: This study was included in the dossier for 1-


dodecene at SIAM 11. Additional information has
been added.

566 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005

5.7 Genetic Toxicity in vivo

Test Substance

Identity (purity): C12-16 Alpha Olefin Fraction (GULFTENE 12-


16)

Remarks Blend of linear 1-dodecene (CAS No. 112-41-4), 1-


tetradecene (CAS No. 1120-36-1), and 1-hexadecene
(CAS No. 629-73-2). Composition of the blend was
undefined in the report; analysis of other
contemporary GULFTENE 12-16 blends showed 65-80%
C12, 16-25% C14, and 4-5% C16

Method

Method/guideline: Equivalent to OECD 474


Type: Micronucleus Assay
GLP: Yes
Year: 1982
Species: Mouse
Strain: Crl:Cd-1 (ICR) BR Swiss
Sex: Male and female
Route of
Administration: Dermal
Concentration levels: 1000, 2500 and 5000 mg/kg. Concentrations
were based on the results of a range-finding
study.
Exposure period: 2 days
Statistical methods: The group mean bodyweight was calculated for
each day. The treatment and group means were
compared using Student’s t test. The group means
and standard deviations for polychromatic
erythrocytes (PCE) with micronuclei, and the group
mean ratio of PCE to normochromatic erythrocytes
(NCE) were calculated. Values from treated groups
were compared with values from the vehicle control
group using Student’s t test. The test would be
considered positive if there were a significant
increase in micronucleated PCE at any dose level,
and if a dose-related response were evident.

Test Conditions: Animals were 11 wks of age at start of treatment


and weighed 28-38 g (males) and 22-30 g (females).
Test article was administered undiluted. Negative
control in the test was corn oil; cyclophosphamide
was positive control. Test article was applied at
a maximum volume of 0.2 ml on the shaved backs of
the mice of Days 1 and 2. Cyclophosphamide was
given by intraperitoneal injection at a dose of 75
mg/kg. Cyclophosphamide-treated animals were
sacrificed on day 3; other groups were sacrificed
on days 3 and 4 and bone marrow smears were
prepared. Smears were stained with May-Grunwald
and Giemsa stains and examined microscopically.
Approximately 1000 PCEs and all NCEs in the scan
path were observed for each animal. Animals were
weighed on Days 1, 3 and 4 and observed daily.

UNEP PUBLICATIONS 567


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
Results

Effect on
PCE/NCE ratio: Results not reported
Genotoxic effects: Negative.

NOEL: 5.0 g/kg

Remarks: All animals (5 per sex per group) survived to


sacrifice. There were no remarkable clinical
findings, or effects on body weight changes.
Slides from animals given corn oil and
cyclophosphamide gave expected results. Slides
from animals given GULFTENE C12-16 gave no
significant increase (T-test, p< 0.05) in
micronucleated bone marrow erythrocytes or dose
related response.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Gulf Life Sciences Center, Pittsburgh,


Pennsylvania (1983) Micronucleus Test in Mouse
Bone Marrow with GULFTENE 12-16 Administered by
Dermal Application for 2 Days. Gulf Oil Chemicals
Company, Sponsor (unpublished report).

Other: This study was included in the dossier for 1-


dodecene at SIAM 11. Additional information has
been added.

5.8 Carcinogenicity

No data available

5.9 Reproductive Toxicity (including Fertility and Developmental Toxicity).

A. Fertility

No data available

B. Developmental Toxicity

No data available

5.10 Other Relevant Information

Aspiration

Test Substance

Identity: C6-C18 even numbered alpha olefins

568 UNEP PUBLICATIONS


OECD SIDS DODECENE
5. TOXICITY ID: 25378-22-7
DATE: 28.04.2005
Method

Type: General toxicity – aspiration


Species: Rat
Strain: Wistar
Sex: Male
Route of
Administration: aspiration
Dose: 0.2 mL

Results: See Remarks

Remarks: C6-C18 alkenes (even carbon numbers, alpha


olefins), source and purity unspecified, were
assessed for aspiration hazard in an animal study
using Wistar rats. Four or five males were used
per test article. Two-tenths mL of the test
material was placed in the mouths of rats that had
been anesthetized to the point of apnea in a
covered wide mouth gallon jar containing about 1
inch of wood shavings moistened with approximately
1 ounce of anhydrous diethyl ether. As the
animals began to breathe again, the nostrils were
held until the test material had been aspirated or
the animal regained consciousness. All alkenes
tested except 1- hexene were aspirated into the
lungs. 1-Hexene was difficult to dose because of
its volatility. Two animals survived because the
hydrocarbon “boiled” out of the mouth before it
was aspirated. All animals exposed to C8 to C14
died within 24 hours. With C16 and C18, there was
only one death (C18). Lung weights were increased
in alkenes-treated animals compared with controls.
The affected animals showed chemical pneumonitis.
The report concluded that there is a significant
aspiration hazard with C6 to C14 alkenes.

Reference: Gerarde, H.W. (1963) Toxicological Studies on


Hydrocarbons. Archives of Environmental Health
6:329-341.

Other: This study was included in the dossier for 1-


dodecene at SIAM 11.

5.11 Experience with Human Exposure

No data available

UNEP PUBLICATIONS 569


OECD SIDS DODECENE
6. REFERENCES ID: 25378-22-7
DATE: 28.04.2005
American Chemistry Council’s Higher Olefins Panel (2002) Personal communication.

Blair, D., Sedgewick, A.E. (1980) The acute inhalation toxicity of Olefins 103
PQ 11. Sittingbourne, Shell Research Limited, TLGR.80.052 (unpublished
report).

Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J. Beaumann and N. Tirado


(1994) Group contribution method for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.

Brooks, T.M. (1982) Toxicity of detergents/higher olefins: In vitro genotoxicity


studies on Shop products (olefins C11 – C12 and C13 – C14, olefin HE bleed and
olefin intermediate recycle). Sittingbourne, Shell Research Limited,
SBGR.81.325 (unpublished report).

Carter, G. (1976) A report on the acute toxicity of Alpha Olefin C12, Ethyl
Corporation (unpublished report).

Carter, G. (1976) A report on the acute toxicity of Alpha Olefin C12, Ethyl
Corporation (unpublished report).

Carter, G. (1976) A report on the acute toxicity of Alpha Olefin C12, Ethyl
Corporation, August (unpublished report).

Cassidy, S.L., Clark, D.G. (1977) Toxicology of alpha olefins: Acute toxicity,
skin and eye irritancy and skin sensitizing potential of alpha olefin 103 PQ 11.
Sittingbourne, Shell Research Limited, TLGR.0.171.77 (unpublished report).

Daubert, T.E. and R.P. Danner (1989) Physical and Thermodynamic Properties of
Pure Chemicals: Data Compilation; Design Institute for Physical Property Data,
American Institute of Chemical Engineers. Hemisphere Pub. Corp., New York, NY;
EPIWIN (2000a) Estimation Program Interface for Windows, version 3.10. Syracuse
Research Corporation, Syracuse, NY. USA.

Dean, B.J. (1980) Toxicity studies with detergent intermediates: In vitro


genotoxicity studies with Shop process components. Shell Research Limited,
TLGR.80.074 (unpublished report).

Driscoll, R. (1996) Acute dermal irritation test in the rabbit with GULFTENE 12,
Report 703/078. Conducted by Safepharm Laboratories Ltd. for Chevron Research
and Technology Company (unpublished report).

EPIWIN (2000a) Estimation Program Interface for Windows, version 3.10. Syracuse
Research Corporation, Syracuse, NY. USA.

EPIWIN (2000b). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

Exxon Biomedical Sciences, Inc. (1996) Fish, Acute Toxicity Test. Study
#119258. Exxon Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished
report).

Exxon Biomedical Sciences, Inc. (1997) Ready Biodegradability: OECD 301F


Manometric Respirometry. Study #115894A. Exxon Biomedical Sciences, Inc., East
Millstone, NJ, USA (unpublished

report).

Gerarde, H.W. (1963) Toxicological Studies on Hydrocarbons. Archives of


Environmental Health 6:329-341.

570 UNEP PUBLICATIONS


OECD SIDS DODECENE
6. REFERENCES ID: 25378-22-7
DATE: 28.04.2005
Goode, J.W. and Brecher, S. (1983) GULFTENE 12-16: BALB/3T3 transformation
test, Project 2070. Sponsored by Gulf Life Sciences Institute, Pittsburg, PA
(unpublished report).

Gould, E.S. (1959), Mechanism and Structure in Organic Chemistry, Holt, Reinhart
and Winston, New York, NY, USA.

Gulf Life Sciences (1984) Hepatocyte Primary Culture/DNA Repair Test of


GULFTENE12-16, project #2069 (unpublished report).

Gulf Life Sciences Center (1983) Two-Week Repeated Dose Toxicity Study in Rats
Using GULFTENE 12-16, Project No. 82-059. Conducted for Gulf Oil Chemicals
Company (unpublished report).

Gulf Life Sciences Center, Pittsburgh, Pennsylvania (1983) CHO/HGPRT Test:


GULFTENE 12-16, Project 82-102. Conducted for Gulf Oil Chemicals Company
(unpublished study).

Gulf Life Sciences Center, Pittsburgh, Pennsylvania (1983) Micronucleus Test in


Mouse Bone Marrow with GULFTENE 12-16 Administered by Dermal Application for 2
Days. Gulf Oil Chemicals Company, Sponsor (unpublished report).

Harris J C (1982a). Rate of Aqueous Photolysis. Chapter 8 in: W. J. Lyman, W. F.


Reehl, and D. H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, USA

Harris, J.C. (1982b), "Rate of Hydrolysis," Chapter 7 in: W.J. Lyman, W.F.
Reehl, and D.H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, NY, USA.

Hazleton Laboratories, Inc. (1961) Acute Oral Administration - Rats, Acute


Dermal Application - Rabbits, Acute Eye Application - Rabbits, Acute Inhalation
Exposure - Mice, Rats, Guinea Pigs; Performed for Esso Research and Engineering
Co. (unpublished report).

Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M. Meylan, A.E. Hueber, J.A.
Beauman and M.E. Larosche (1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem.
11:593-603.

Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using


Multivariate Statistical Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E. Poling, Eds.

Lappin, G.R. and J.D. Sauer (1989) Alpha Olefins Application Handbook, Marcel
Dekker, Inc., N.Y.

Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds. (1990) Handbook of Chemical
Property Estimation. Chapter 14. Washington, D.C.: American Chemical Society.

Meylan, W. and P. Howard (1995) Atom/fragment contribution method for estimating


octanol-water partition coefficients. J. Pharm. Sci. 84:83-92.

Meylan, W., P. Howard and R. Boethling (1996) Improved method for estimating
water solubility from octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.

Meylan, W., P.H. Howard and R.S. Boethling (1992) Molecular topology/fragment
contribution method for predicting soil sorption coefficients. Environ. Sci.
Technol. 26:1560-7

Meylan, W.M. and Howard, P.H. (1993) Computer estimation of the atmospheric
gas-phase reaction rate of organic compounds with hydroxyl radicals and ozone.
Chemosphere 26: 2293-99

UNEP PUBLICATIONS 571


OECD SIDS DODECENE
6. REFERENCES ID: 25378-22-7
DATE: 28.04.2005
Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved method for estimating
bioconcentration / bioaccumulation factor from octanol/water partition
coefficient. Environ. Toxicol. Chem. 18(4): 664-672

Neely and Blau (1985) Environmental Exposure from Chemicals, Volume 1, p. 31,
CRC Press.

Neely, W. B. 1985. Hydrolysis. In: W. B. Neely and G. E. Blau, eds.


Environmental Exposure from Chemicals. Vol I., pp. 157-173. CRC Press, Boca
Raton, FL, USA.

NLM (2003). TRI (Toxic Release Inventory). U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September 2003 (http://toxnet.nlm.nih.gov).

Research Institute of Organic Synthesis a.s (1997) Pardubice, Czech Republic


test Protocol No. 28/L (unpublished report).

Rinehart, W.E. (1967) Toxicological Studies on Several Alpha Olefins.


University of Pittsburgh, submitted to Gulf Research and Development Co.
(unpublished report).

SRI (2001) Chemical Economics Handbook. SRI International. Menlo Park, CA.
August 2001.

Stein, S. and R. Brown (1994) Estimation of normal boiling points from group
contributions (1994) J. Chem. Inf. Comput. Sci. 34: 581-587.

Trent University (2004). Level I Fugacity-based Environmental Equilibrium


Partitioning Model (Version 3.00) and Level III Fugacity-based Multimedia
Environmental Model (Version 2.80.1. Environmental Modeling Centre, Trent
University, Peterborough, Ontario. (Available at http://www.trentu.ca/cemc)

Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and H. Loonen (2000)


Predicting ready biodegradability in the MITI Test. Environ. Toxicol. Chem.
(accepted for publication)

Turner, S.J., Watkinson, R.J., Shop (1985) Olefins 103: An assessment of Ready
Biodegradability, Sittingbourne, Shell Research Limited, SBGR.85.106
(unpublished report).

U.S. Coast Guard Department of Transportation. CHRIS – Chemical Hazards


Response Information System Washington, DC, information last updated 2002,
website: http://www.chrismanual.com/default.htm.

Zepp, R. G. and D. M. Cline (1977). Rates of Direct Photolysis in the Aqueous


Environment, Environ. Sci. Technol., 11:359-366.

572 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE

SIDS DOSSIER
ON THE HPV CHEMICAL

1-HEXADECENE

CAS No.: 629-73-2


Contains Robust Summaries for the Following Substances:

CAS No. 629-73-2, 1-Hexadecene


CAS No. 26952-14-7, Hexadecene
CAS No. 26952-14-7, Hexadecene, 49% and CAS No. 27070-58-2, Octadecene 49%
C16/18 Isomerized Olefins
C12-16 Alpha Olefin Fraction (GULFTENE 12-16)
CAS No. 1120-36-1, 1-Tetradecene
CAS No. 68855-59-4, C14-16 Alpha Olefin Blend

Sponsor Country: USA

Date of submission to OECD: April 28, 2005

UNEP PUBLICATIONS 573


OECD SIDS 1- HEXADECENE
1. GENERAL INFORMATION ID: 629-73-2
DATE: 28.04.2005
Substance Information

A. CAS Number: 629-73-2

B. Name (OECD): 1-Hexadecene

C. Name (IUPAC): 1-Hexadecene

D. CAS Descriptor: Not applicable

E. EINECS Number: 211-105-8 (hexadec-1-ene)

F. Molecular Formula: C16 H32

G. Structural Formula: CH3-(CH2)13-CH=CH2

Sponsor Country: United States of America

Lead Organisation:

Name of Lead Organisation: United States of America Environmental


Protection Agency
Contact person: Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
Address:
• Street: 1200 Pennsylvania Avenue, NW
• Postal code: 20460
• Town: Washington, D.C. 20460
• Country: United States of America
• Tel: (202) 564-7461

Name of Responder (Industry Consortium):

Name: American Chemistry Council (Higher Olefins Panel)


Contact: Mr. W. D. Anderson, Higher Olefins Panel Manager
Address:
• Street: 1300 Wilson Boulevard
• Postal code: 22209
• Town: Arlington, VA
• Country: United States of America
• Tel: (703)741-5616
• Fax: (703) 741-6091

Details on Chemical Category

This profile includes an evaluation of SIDS-level testing data, using a category


approach, with six individual internal olefins (C6 – C10 and C12), a C10 – 13
internal olefins blend and two linear alpha olefins (1-hexadecene and 1-
octadecene), all of which are monoolefins. The internal olefins are
predominantly linear, but may contain small amounts of branched materials. For
the purposes of the ICCA HPV Program, the category was defined as “Higher
Olefins.” The category designation was based on the belief that, within the C6
to C18 boundaries identified, internalizing the location of the carbon-carbon
double bond, increasing the length of the carbon chain, and/or changing the

574 UNEP PUBLICATIONS


OECD SIDS 1- HEXADECENE
1. GENERAL INFORMATION ID: 629-73-2
DATE: 28.04.2005
carbon skeleton’s structure from linear to branched does not change the toxicity
profile, or changes the profile in a consistent pattern from lower to higher
carbon numbers. This expectation is supported by a large amount of existing data
for alpha and internal olefins with carbon numbers ranging from C6 to C24. The
members of the category are:

Hexene CAS # 25264-93-1

Heptene CAS # 25339-56-4

Octene CAS # 25377-83-7

Nonene CAS # 27215-95-8

Decene CAS # 25339-53-1

Dodecene CAS # 25378-22-7

Alkenes, C10-C13 CAS# 85535-87-1

1-Hexadecene CAS # 629-73-2

1-Octadecene CAS # 112-88-9

1.1 General Substance Information

A. Type of Substance

Element [ ]; Inorganic [ ]; Natural substance [ ]; Organic [X ];


Organometallic [ ];
Petroleum product [ ]

B. Physical State (at 20°C and 1.013 hPa)

Gaseous [ ]; Liquid [X ]; Solid [ ]

C. Purity: Purities reported by manufacturers: 92%, 80-98%

1.2 Impurities

Chemical Name: 5.5 - 6.8% vinylidenes (branching at the second carbon)

Chemical Name: max 7% C14 and lower olefins

Chemical Name: max 15% C18 and higher olefins

1.3 Additives

None

1.4 Synonyms

Some synonyms are: 1-Cetene


Hexadecylene-1
alpha-Hexadecene
alpha-Hexadecylene
1-n-Hexadecene
n-Hexadec-1-ene

UNEP PUBLICATIONS 575


OECD SIDS 1- HEXADECENE
1. GENERAL INFORMATION ID: 629-73-2
DATE: 28.04.2005
Cetylene

1.5 Quantity

Remarks: U.S. production volume for 1-hexadecene in 2002 was 100 – 200
million pounds. This information was provided by the members of the
American Chemistry Council’s Higher Olefins Panel.

Reference: American Chemistry Council’s Higher Olefins Panel (2002)

1.6 Use Pattern

Type of Use: Category:

(a)Main Use in closed systems


Industrial Chemical industry – chemicals used in synthesis
Use Intermediate

Remarks: Intermediate in the manufacture of lube oil


additives, hydraulic fluids and additives,
detergent alcohols, nonionics, surfactants; and
direct components of drilling fluids for off-shore
oil exploration

(b)Main Non-dispersive use


Industrial Chemical industry – chemicals used in synthesis
Use Intermediate

Remarks: Intermediate in the manufacture of lube oil


additives, hydraulic fluids and additives,
detergent alcohols, nonionics, surfactants; and
direct components of drilling fluids for off-shore
oil exploration

Reference: American Chemistry Council’s Higher Olefins Panel

B. Uses In Consumer Products

Not applicable

1.7 Sources of Exposure

Source:

Remarks: This product is produced commercially in closed systems and is used


primarily as an intermediate in the production of other chemicals.
C16 olefins are blended with other chemicals for use as drilling
fluids for off-shore oil exploration. No other non-intermediate
applications have been identified. Any occupational exposures that
do occur are most likely by the inhalation and dermal routes. It is
a common practice to use personal protective equipment. In the case
of dermal exposures, protective gloves would be worn due to the
mildly irritating properties of this class of chemicals (ACC Higher
Olefins Panel). Results from modelled data suggest that on-site
waste treatment processes are expected to remove this substance from
aqueous waste streams to the extent that it will not be readily
detectable in effluent discharge (EPIWIN, 2000). This substance is
not on the US Toxic Release Inventory (TRI) list (NLM, 2003). This

576 UNEP PUBLICATIONS


OECD SIDS 1- HEXADECENE
1. GENERAL INFORMATION ID: 629-73-2
DATE: 28.04.2005
olefin will not persist in the environment because it can be rapidly
degraded through biotic and abiotic processes.

Reference: American Chemistry Council’s Higher Olefins Panel (2002)

1.8 Additional Information

A. Classification and Labelling

Classification

Type: as in Directive 67/548/EEC


Category of danger: Harmful
R-phrases: (65) Harmful: may cause lung damage if swallowed

Labelling

Type: as in Directive 67/548/EEC


Specific limits: no
Symbols: Xn
Nota:
R-phrases: (65) Harmful: may cause lung damage if swallowed
(66) Repeated exposure may cause skin dryness or
cracking
S-phrases: (24/25) Avoid contact with skin and eyes
(28) After contact with skin, wash immediately with
plenty of …
(62) If swallowed, do not induce vomiting: seek medical
advice immediately and show this container or label

B. Occupational Exposure Limits

Exposure Limit Value

Type: None established


Value:

Short Term Exposure Limit Value

Value: None established

C. OPTIONS FOR DISPOSAL

Remarks: Incineration or diversion to other hydrocarbon uses

D. Last Literature Search

Type of search: Internal and external


Date of search: October 2003
Remark: Medline
IUCLID
TSCATS
ChemIDplus
AQUIRE - ECOTOX

UNEP PUBLICATIONS 577


OECD SIDS 1- HEXADECENE
2. PHYSICO-CHEMICAL DATA ID: 629-73-2
DATE: 28.04.2005
2.1 Melting Point

A. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
v. 3.11, subroutine MPBPWIN v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Melting Point is calculated by the MPBPWIN subroutine,


which is based on the average results of the methods of
K. Joback, and Gold and Ogle, and chemical structure.
Joback's Method is described in Joback, (1982). The Gold
and Ogle Method simply uses the formula Tm = 0.5839Tb,
where Tm is the melting point in Kelvin and Tb is the
boiling point in Kelvin.

Results

Melting point
value in °C: -21.29°C

Reliability: (2) Reliable with restrictions. The result includes


calculated data based on chemical structure as modeled
by EPIWIN

References: Joback, K.G. 1982. A Unified Approach to Physical


Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.

EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method/
guideline followed: Not reported
GLP: Not reported
Year:

Test Conditions: Not reported

Results
Melting point
value in °C: 4.1°C

578 UNEP PUBLICATIONS


OECD SIDS 1- HEXADECENE
2. PHYSICO-CHEMICAL DATA ID: 629-73-2
DATE: 28.04.2005
Reliability: (2) Reliable with restrictions. Reliable secondary
source. Data were not reviewed for quality.

Flag: Key study for SIDS endpoint

References: Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry


and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., p.
3-181.

2.2 Boiling Point

A. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
MPBPWIN v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Boiling Point is calculated by the MPBPWIN


subroutine, which is based on the method of Stein
and Brown (1994).

Results

Boiling point
value in °C: 275.88°C
Pressure: 1013
Pressure unit: hPa

Reliability: (2) Reliable with restrictions. The result includes


calculated data based on chemical structure as modeled
by EPIWIN

References: Stein, S. and R. Brown (1994) Estimation of normal


boiling points from group contributions (1994) J. Chem.
Inf. Comput. Sci. 34: 581-587.

EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method/
guideline followed: Not reported
GLP: Not reported
Year: Not reported

UNEP PUBLICATIONS 579


OECD SIDS 1- HEXADECENE
2. PHYSICO-CHEMICAL DATA ID: 629-73-2
DATE: 28.04.2005
Test Conditions:

Results
Boiling point
value in °C: 284.9°C
Pressure: 1013
Pressure unit: hPa

Reliability: (2) Reliable with restrictions. Reliable secondary


source. Data were not reviewed for quality.

Flag: Key study for SIDS endpoint

References: Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry


and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., p.
3-181.

C. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method/
guideline followed: Not reported
GLP: Not reported
Year: Not reported

Test Conditions:

Results
Boiling point
value in °C: 272-274 °C
Pressure: 1013
Pressure unit: hPa

Reliability: (2) Reliable with restrictions. Reliable source but


data were not reviewed for quality.

References: Shell Product Brochure for Neodene: Alpha and Internal


Olefins, SC 1095-94R, Shell Chemicals Europe Ltd.

2.3 Density (Relative Density)

A. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Remarks: Purity approx. 92%

Method

Method: ASTM D 287


GLP: No

Test Conditions: No data

Results

580 UNEP PUBLICATIONS


OECD SIDS 1- HEXADECENE
2. PHYSICO-CHEMICAL DATA ID: 629-73-2
DATE: 28.04.2005
Type: Relative Density

Value: 0.7853

Temperature (°C): 15.6/15.6

Reliability: (1) Reliable without restrictions.

Reference: Chevron Phillips Chemical Company, The Woodlands, TX

B. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method: No data
GLP: No

Test Conditions: No data

Results

Type: Relative Density

Value: 0.7811

Temperature (°C): 20 °C

Reliability: (2) Reliable with restrictions. Reliable secondary


source. Data were not reviewed for quality

Reference: Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry


and Physics. 79th ed. Boca Raton, FL: CRC Press Inc., p.
3-181.

2.4 Vapour Pressure

A. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method/
guideline followed: Not reported
GLP: Not applicable
Year:

Test Conditions:

Results
Vapor Pressure
value: 0.00352 hPa
Temperature: 25°C
Remarks: Reported as 0.00264 mm Hg (25°C)

UNEP PUBLICATIONS 581


OECD SIDS 1- HEXADECENE
2. PHYSICO-CHEMICAL DATA ID: 629-73-2
DATE: 28.04.2005
Reliability: (2) Reliable with restrictions. The result is measured
data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

References: Daubert, T.E. and R.P. Danner (1989) Physical and


Thermodynamic Properties of Pure Chemicals: Data
Compilation; Design Institute for Physical Property
Data, American Institute of Chemical Engineers.
Hemisphere Pub. Corp., New York, NY; EPIWIN (2000)
Estimation Program Interface for Windows, version 3.11.
EPI Suite™ software, U.S. Environmental Protection
Agency, Office of Pollution Prevention and Toxics,
U.S.A.

B. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method/
guideline followed: Not reported
GLP: No data
Year:

Test Conditions: No data

Results
Vapor Pressure
value: <0.069 hPa
Temperature (°C ): 37.8°C

Reliability: (2) Reliable with restrictions. Reliable source but


data were not reviewed for quality.

References: Shell Product Brochure for Neodene: Alpha and Internal


Olefins, SC 1095-94R, Shell Chemicals Europe Ltd.

C. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method/
guideline followed: Calculated value using the computer program
EPIWIN, MPBPWIN v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Vapor Pressure is calculated by the MPBPWIN subroutine,


which is based on the modified Grain Method is described
by Neely and Blau, 1985. Used experimental value for
BP of 284.90 °C from EPIWIN database

Results

582 UNEP PUBLICATIONS


OECD SIDS 1- HEXADECENE
2. PHYSICO-CHEMICAL DATA ID: 629-73-2
DATE: 28.04.2005
Vapor Pressure
value: 0.0102 hPa
Temperature (°C ): 25°C
Remarks: Reported as 0.00766 mm Hg

Reliability: (2) Reliable with restrictions. The result is


calculated data as modeled by EPIWIN using measured data
as cited in the EPIWIN database. These data were not
reviewed for quality.

References: Neely and Blau (1985) Environmental Exposure from


Chemicals, Volume 1, p. 31, CRC Press.

EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

2.5 Partition Coefficient (log10Kow)

Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method: Calculated value using the computer program EPIWIN, KOWWIN v


1.67
GLP: Not applicable
Year: Not applicable

Test Conditions: Octanol / Water Partition Coefficient is calculated by the


KOWWIN subroutine, which is based on an atom/fragment
contribution method of Meylan and Howard (1995).

Results

Log Kow: 8.0626


Temperature (°C ): Not applicable

Reliability: (2) Reliable with restrictions. The result was calculated


based on chemical structure as modeled by EIPWIN.

Flag: Key study for SIDS endpoint

Reference: Meylan, W. and P. Howard (1995) Atom/fragment contribution


method for estimating octanol-water partition coefficients. J.
Pharm. Sci. 84:83-92.

EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.

2.6.1 Water Solubility (including *Dissociation Constant).

UNEP PUBLICATIONS 583


OECD SIDS 1- HEXADECENE
2. PHYSICO-CHEMICAL DATA ID: 629-73-2
DATE: 28.04.2005
A. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method/
guideline followed: Calculated value using the computer program
EPIWIN, WSKOW v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Water Solubility is calculated by the WSKOW


subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996. The
calculation used an estimated Log Kow of 8.06
(estimated by EPIWIN).

Results

Value(mg/L) at
temperature ( °C): 0.00144 mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result was


calculated.

Flag: Key study for SIDS endpoint

References: Meylan, W., P. Howard and R. Boethling (1996)


Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.

EPIWIN (2000) Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method/
guideline followed: Calculated value using the computer program
EPIWIN, WATERNT v 1.01
GLP: Not applicable
Year: Not applicable

Test Conditions: The water solubility is calculated by the WATERNT


subroutine, which is based on an atom/fragment
contribution method of Meylan and Howard (1995).

Results

Value(mg/L) at
temperature ( °C): 0.00039982 mg/L (25°C)

584 UNEP PUBLICATIONS


OECD SIDS 1- HEXADECENE
2. PHYSICO-CHEMICAL DATA ID: 629-73-2
DATE: 28.04.2005
Reliability: (2) Reliable with restrictions. The result was
calculated based on chemical structure as modeled
by EPIWIN.

References: Meylan, W. and P. Howard (1995) Atom/fragment


contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.

EPIWIN (2000) Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

2.6.2 Surface tension

No data available

2.7 Flash Point (Liquids)

A. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method: No data
GLP: No data

Test Conditions: No data

Results

Value (°C): 126.7 °C


Type of test: closed cup

Reliability: (2) Reliable with restrictions. Reliable source but data


were not evaluated for quality.

Reference: Shell Product Brochure for Neodene: Alpha and Internal


Olefins, SC 1095-94R, Shell Chemicals Europe Ltd.

B. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene


Remarks: Purity approx. 92%

Method

Method: ASTM D93


GLP: No data

Test Conditions: No data

Results

Value (°C): 132 °C

UNEP PUBLICATIONS 585


OECD SIDS 1- HEXADECENE
2. PHYSICO-CHEMICAL DATA ID: 629-73-2
DATE: 28.04.2005
Type of test: Pensky-Martens closed cup tester

Reliability: (2) Reliable with restrictions. Test conducted by


reliable testing facility but data were not evaluated
for quality.

Reference: Chevron Phillips Chemical Company Product Brochure,


Company test results, Chevron Phillips Chemical Company,
The Woodlands, TX.

2.8 Auto Flammability (Solids/Gases)

A. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene


Remarks: Purity approx. 92%

Method

Method: No data
GLP: No

Test Conditions: No data

Results

Value (°C): 224 °C


Pressure (hPa): No data

Reliability: (2) Reliable with restrictions. Test conducted by


reliable testing facility but data were not evaluated
for quality.

Reference: Chevron Phillips Chemical Company Product Brochure,


Company test results, Chevron Phillips Chemical Company,
The Woodlands, TX.

B. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method: No data
GLP: No

Test Conditions: No data

Results

Value (°C): 240 °C


Pressure (hPa): 1013.25 hPa

Reliability: (2) Reliable with restrictions. Reliable secondary


source. Data was not evaluated for quality.

Reference: Hilado, C.J. and S.W. Clark (1972) Autoignition


temperatures of organic chemicals. Chemical Engineering.
September 4, p.76.

586 UNEP PUBLICATIONS


OECD SIDS 1- HEXADECENE
2. PHYSICO-CHEMICAL DATA ID: 629-73-2
DATE: 28.04.2005

2.9 Flammability

Result: Non flammable


Method: Defined by flash point

2.10 Explosive Properties

Result: Not explosive


Method: Based on thermodynamic information

2.11 Oxidising Properties

Result: No oxidizing properties


Method: Based on structural formula

2.12 Oxidation-Reduction Potential

Not applicable

UNEP PUBLICATIONS 587


OECD SIDS 1-HEXADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 629-73-2
DATE: 28.04.2005
3.1 Stability

A. Photodegradation

(1) Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method/
guideline followed: Other: Technical discussion

Type: water
GLP: Not applicable
Year: Not applicable

Test Conditions: Not applicable

Results

Direct photolysis: In the environment, direct photolysis will


not significantly contribute to the degradation of
constituent chemicals in the Higher Olefins
Category.

Remarks: The direct photolysis of an organic molecule


occurs when it absorbs sufficient light energy to
result in a structural transformation (Harris,
1982a). The reaction process is initiated when
light energy in a specific wavelength range
elevates a molecule to an electronically excited
state. However, the excited state is competitive
with various deactivation processes that can
result in the return of the molecule to a non
excited state.

The absorption of light in the ultra violet (UV)-


visible range, 110-750 nm, can result in the
electronic excitation of an organic molecule.
Light in this range contains energy of the same
order of magnitude as covalent bond dissociation
energies (Harris, 1982a). Higher wavelengths (e.g.
infrared) result only in vibrational and
rotational transitions, which do not tend to
produce structural changes to a molecule.

The stratospheric ozone layer prevents UV light of


less than 290 nm from reaching the earth's
surface. Therefore, only light at wavelengths
between 290 and 750 nm can result in photochemical
transformations in the environment (Harris,
1982a). Although the absorption of UV light in the
290-750 nm range is necessary, it is not always
sufficient for a chemical to undergo photochemical
degradation. Energy may be re-emitted from an
excited molecule by mechanisms other than chemical
transformation, resulting in no change to the
parent molecule.

588 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 629-73-2
DATE: 28.04.2005
A conservative approach to estimating a
photochemical degradation rate is to assume that
degradation will occur in proportion to the amount
of light wavelengths >290 nm absorbed by the
molecule (Zepp and Cline, 1977).

Olefins with one double bond, such as the


chemicals in the Higher Olefins category, do not
absorb appreciable light energy above 290 nm. The
absorption of UV light to cause cis-trans
isomerization about the double bond of an olefin
occurs only if it is in conjugation with an
aromatic ring (Harris, 1982a).

Products in the Higher Olefins Category do not


contain component molecules that will undergo
direct photolysis. Therefore, this fate process
will not contribute to a measurable degradative
removal of chemical components in this category
from the environment.

Reliability: Not applicable

References: Harris J C (1982a). Rate of Aqueous Photolysis.


Chapter 8 in: W. J. Lyman, W. F. Reehl, and D. H.
Rosenblatt, eds., Handbook of Chemical Property
Estimation Methods, McGraw-Hill Book Company, New
York, USA.

Zepp, R. G. and D. M. Cline (1977). Rates of


Direct Photolysis in the Aqueous Environment,
Environ. Sci. Technol., 11:359-366.

(2) Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method/
guideline followed: Calculated values using AOPWIN version 1.90,
a subroutine of the computer program EIPWIN
version 3.10 which uses a program described
by Meylan, W.M. and Howard, P.H. (1993)
Type: air
GLP: Not applicable
Year: Not applicable

Results

Indirect photolysis

Sensitiser (type): OH
Rate Constant: 44.3085 E-12 cm3/molecule-sec
Degradation % after: 50% after 2.897 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3)

Sensitiser (type): Ozone

UNEP PUBLICATIONS 589


OECD SIDS 1-HEXADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 629-73-2
DATE: 28.04.2005
Rate Constant: 1.2 E-17 cm3/molecule-sec
Degradation % after: 50% after 22.920 hrs (using avg. ozone conc.
of 7 E11 mol/cm3)

Reliability: (2) Reliable with restrictions. The value was


calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.

Flag: Critical study for SIDS endpoint

References: Meylan, W.M. and Howard, P.H. (1993) Computer


estimation of the atmospheric gas-phase reaction
rate of organic compounds with hydroxyl radicals
and ozone. Chemosphere 26: 2293-99.

EPIWIN (2000) Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

B. Stability in Water

Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method/
guideline followed: Other – Technical Discussion
Type (test type):
GLP: Yes [ ] No[ ]
Year:

Test Conditions: Not applicable

Results: Not applicable

Remarks: Hydrolysis of an organic molecule occurs when a molecule


(R-X) reacts with water (H2O) to form a new carbon-
oxygen bond after the carbon-X bond is cleaved (Gould,
1959; Harris, 1982b). Mechanistically, this reaction is
referred to as a nucleophilic substitution reaction,
where X is the leaving group being replaced by the
incoming nucleophilic oxygen from the water molecule.

The leaving group, X, must be a molecule other than


carbon because for hydrolysis to occur, the R-X bond
cannot be a carbon-carbon bond. The carbon atom lacks
sufficient electronegativity to be a good leaving group
and carbon-carbon bonds are too stable (high bond
energy) to be cleaved by nucleophilic substitution.
Thus, hydrocarbons, including alkenes, are not subject
to hydrolysis (Harris, 1982b) and this fate process will
not contribute to the degradative loss of chemical
components in this category from the environment.

590 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 629-73-2
DATE: 28.04.2005
Under strongly acidic conditions the carbon-carbon
double bond found in alkenes, such as those in the
Higher Olefins Category, will react with water by an
addition reaction mechanism (Gould, 1959). The reaction
product is an alcohol. This reaction is not considered
to be hydrolysis because the carbon-carbon linkage is
not cleaved and because the reaction is freely
reversible (Harris, 1982b). Substances that have a
potential to hydrolyze include alkyl halides, amides,
carbamates, carboxylic acid esters and lactones,
epoxides, phosphate esters, and sulfonic acid esters
(Neely, 1985).

The substances in the Higher Olefins Category are


primarily olefins that contain at least one double bond
(alkenes). The remaining chemicals are saturated
hydrocarbons (alkanes). These two groups of chemicals
contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic
mechanism discussed above. Therefore, chemicals in the
Higher Olefins Category have a very low potential to
hydrolyze, and this degradative process will not
contribute to their removal in the environment.

Conclusions: In the environment, hydrolysis will not contribute to


the degradation of 1-hexadecene.

Reliability: Not applicable

References: Gould, E.S. (1959) Mechanism and Structure in Organic


Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.

Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in:


W.J. Lyman, W.F. Reehl, and D.H. Rosenblatt, eds.,
Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.

Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G.


E. Blau, eds. Environmental Exposure from Chemicals. Vol
I., pp. 157-173. CRC Press, Boca Raton, FL, USA.

C. Stability In Soil

No data available

3.2 Monitoring Data (Environment)

No data available.

3.3 Transport and Distribution

3.3.1 Transport between environmental compartments

A. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

UNEP PUBLICATIONS 591


OECD SIDS 1-HEXADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 629-73-2
DATE: 28.04.2005
Method

Type: Fugacity models, Mackay Levels I and III

Remarks: Trent University model used for calculations. Half-lives in


water, soil and sediment estimated using EPIWIN (EPIWIN, 2000)

Chemical assumptions:

Molecular weight: 224


Water solubility: 0.00144 g/m3
Vapor pressure: 0.352 Pa (25°C)
Log Kow: 8.06
Melting point: 4.1°C
Environment name: EQC Standard Environment

Half-life in air = 4.625 hr, half-life in water = 360 hr,


half-life in soil = 360 hr, half-life in sediment = 1440 hr

All other parameters were default values. Emissions for Level


I = 1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).

Results Media: Air, soil, water and sediment concentrations were


estimated

Level I Level III


Air 9.6% <1%
Water <1% 7.9%
Soil 88.4% 22.4%
Sediment 2% 69.4%

Remarks: Since default assumptions for release estimates were used,


resulting environmental concentrations are not provided.

Conclusions: These results indicated that 1-hexadecene will partition


primarily to soil under equilibrium conditions (Level I
model), but primarily to sediment under the assumed pattern of
chemical release (equal loading of water, soil and air) in the
Level III model.

Reliability: (2) Valid with restrictions: data are calculated.

Flag: Critical study for SIDS endpoint

References: Trent University (2004). Level I Fugacity-based Environmental


Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version 2.80.1.
Environmental Modeling Centre, Trent University, Peterborough,
Ontario. (Available at http://www.trentu.ca/cemc)

EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.

B. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

592 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 629-73-2
DATE: 28.04.2005

Method

Type: Volatilization from water

Remarks: Calculated using the computer program EPIWIN version


3.11; based on
Henry’s Law Constant of 6.1 atm-m3/mole (estimated by
Bond SAR method using HENRYWIN program) and EPIWIN
default values

Results: Half-life from a model river: 1.529 hrs


Half-life from a model lake: 5.9 days

Reliability: (2) Valid with restrictions. Input data were


calculated.

References: EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

3.3.2 Distribution

A. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method: Adsorption Coefficient (Koc) calculated value using the


computer program EPIWIN, PCKOC v 1.66, based on the
method of Meylan et al., 1992.

Test Conditions: Based on chemical structure

Results

Value: Estimated Koc = 6.79e+004

Reliability: (2) Reliable with restrictions. Value is calculated.

Reference: EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method: Henry’s Law Constant calculated value using the computer


program EPIWIN, HENRY v 3.11

Test Conditions: Bond and Group estimates based on chemical structure, at


25°C; VP/water solubility estimates based on EPIWIN
values of VP = 0.00264 mm Hg and WS = 0.00144 mg/L.

UNEP PUBLICATIONS 593


OECD SIDS 1-HEXADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 629-73-2
DATE: 28.04.2005

Results

Value: Bond estimate = 6.10 atm-m3/mole


Group estimate = 16.9 atm-m3/mole
VP/Wsol estimate = 0.541 atm-m3/mole

Reliability: (2) Reliable with restrictions. Value is calculated.

Reference: EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

3.4 Aerobic Biodegradation

A. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method/guideline: OECD 301C, Ready Biodegradability, Modified MITI


Test (I)

Type: Aerobic [X ] Anaerobic [ ]


GLP: no data

Year: no data

Contact time: 28 days


Inoculum: Mixture from several sources in Japan that included 4
sewage plants, 3 rivers, 2 bays, and 1 lake.

Test Conditions: A mixed inoculum was developed and maintained that used
ten sources and included: return sludge from 1
industrial and 3 city sewage plants; and water from 3
rivers, 2 bays, and 1 lake, with soil from land adjacent
to these bodies of water. A filtrate from the
combination of these samples was prepared and added to
an existing culture that had been developed from the
same sources as above and maintained under aeration and
with a synthetic feed composed of glucose, peptone, and
monopotassium phosphate. The inoculum used for this
biodegradation test was removed from the mixed culture
and added to the test systems at a concentration of 30
mg of inoculum per liter of test medium. Blank and
positive controls were used per guideline. The positive
control, aniline, was added to the control vessel at a
loading rate of 100 mg/L. Test systems contained 100 mg
test substance per liter of medium (3 replicates). The
volume of test solution was 300 ml. Temperature of
incubation: 24 - 26°C. Oxygen consumption was monitored
using a closed system oxygen consumption measuring
apparatus from Ohkura Electric Co., Ltd. Percent
biodegradation was calculated as a percent ratio of the
biological oxygen demand (BOD) in the test system less
the BOD of the blank control, to the calculated
theoretical oxygen demand of the added test material.
When percentage biodegradations of aniline calculated by

594 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 629-73-2
DATE: 28.04.2005
BOD value were beyond 40% and 60% at the 7th and 14th
day, respectively, it was concluded that the test
condition was valid.

Results: Readily biodegradable: The degree of biodegradation of


the test material was 55 – 77% after 28 days.

% Degradation* Mean % Degradation


Sample (day 28) (day 28)
Test Material 55, 77, 73 68
* replicate data

By day 14, >60% biodegradation of the positive control


was measured, which meets the guideline requirement. No
excursions from the protocol were noted.

Reliability: (2) Reliable with restrictions: Reference compound data


are not presented and the range in biodegradation values
is not less than 20% as required in OECD guideline 301C.

Flag: Key study for SIDS endpoint

Reference: Chemicals Inspection and Testing Institute, Japan (1992)


Biodegradation and Bioaccumulation Data of Existing
Chemicals Based on the CSCL Japan. Japan Chemical
Industry Ecology-Toxicology and Information Center.

B. Test Substance

Identity: CAS No. 26952-14-7 (Hexadecene, 49%) and 27070-58-2


(Octadecene 49%) with 2% C32-36 olefins as impurities;
double bond occurs at all locations along the carbon
chain; 20-30% methyl branching

Method

Method/guideline: ISO "Marine BODIS" ISO/TC 147/SC 5/WG 4N 1415


Type: Aerobic [X ] Anaerobic [ ]
GLP: No
Year: 1995
Contact time: 28 days
Inoculum: None

Test Conditions: This method used natural seawater fortified with mineral
nutrients and no inoculum was added in addition to the
microorganisms already present in the seawater.

The test vessels were closed glass bottles with a known


volume of aqueous test mixture (66.6%) and air (33.3%).
They were shaken continuously to assure steady state
oxygen partitioning between the aqueous and gaseous
phase. The degradation was followed by weekly
measurements of the BOD in the aqueous phase for a 28-
day period. The test vessels were re-aerated and
resealed after measurement. The total oxygen uptake in
the test flasks was calculated from the measured oxygen
concentration divided by the saturation value at normal
conditions and multiplied with the total oxygen content

UNEP PUBLICATIONS 595


OECD SIDS 1-HEXADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 629-73-2
DATE: 28.04.2005
originally present in the aqueous and gaseous phases.

Three replicates were used for each test condition:


test substance, controls, and insoluble reference
substance. The total oxygen capacity of each test vessel
was 26.64 mg oxygen. Sodium benzoate was used as the
soluble reference substance at a concentration of 20 mg
of theoretical oxygen demand (ThOD) per test vessel.

An inert support medium, chromatography silica powder,


was used to provide a large and controlled surface area
for the poorly-soluble test substance and reference
substance (an olefin oil) The silica powder) and test
material were made into a homogenate and added to the
test vessel before addition of the test medium. One gram
of support medium containing 20 mg of ThOD of test
substance or insoluble reference substance was used for
each test vessel. The ThOD for the test substance was
0.34 mg oxygen/mg and the addition rate was 4 mg/test
vessel.

The following controls were included: Background oxygen


consumption in test medium, background oxygen
consumption in test medium with clean silica powder.

Validity criteria stated: Temperature = 19-21°C,


Soluble reference is >60% in 14 days, and Cumulative
blank oxygen consumption is <30% of oxygen initially
available. The Reference insoluble material is expected
to achieve 25-45% in 28 days.

Results: The test material achieved 48% biodegradation in 28


days.

Kinetic of
Test substance: 7 day = 19 %
14 day = 31 %
21 day = 44 %
28 day = 48 %

Kinetic of control
Substance
(Sodium benzoate):14 day = 58 %
28 day = 85 %

Reliability: (2) Reliable with restrictions: This study does not meet
the validity criteria stated in the report. The Soluble
reference, sodium benzoate only achieved 58% degradation
by Day 14, instead of 60%.

Reference: Environment & Resource Technology Ltd. (1999)


Assessment of ready aerobic degradability of C16/C18
isomerized olefin base fluid in seawater. Study No. 074-
9. Conducted for Chevron Chemical Company (unpublished
report).

C. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

596 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 629-73-2
DATE: 28.04.2005
Method

Method/guideline: Estimated using the computer program EPIWIN v


3.11, BIOWIN v 4.01

Type: Aerobic

Test Conditions: Estimates use methods described by Howard et al., 1992;


Boethling et al., 1994; and Tunkel et al., 2000.
Estimates are based upon fragment constants that were
developed using multiple linear and non-linear
regression analyses.

Results: Linear model prediction: Biodegrades fast


Non-linear model prediction: Biodegrades fast
Ultimate biodegradation timeframe: Weeks
Primary biodegradation timeframe: Days
MITI linear model prediction: Biodegrades fast
MITI non-linear model prediction: Biodegrades fast

Reliability: (2) Reliable with restriction: Results are


estimated

Reference: Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J.


Beaumann and N. Tirado (1994) Group contribution method
for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.

Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M.


Meylan, A.E. Hueber, J.A. Beauman and M.E. Larosche
(1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data.
Environ. Toxicol. Chem. 11:593-603.

Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and


H. Loonen (2000) Predicting ready biodegradability in
the MITI Test. Environ. Toxicol. Chem. (accepted for
publication)

EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

D. Test Substance

Identity: CAS No. 1120-36-1, 1-Tetradecene – 98%

Method

Method/guideline: OECD 301D

Type: Aerobic [X ] Anaerobic [ ]

GLP: Yes

Year: 1985

Contact time: 28 days

UNEP PUBLICATIONS 597


OECD SIDS 1-HEXADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 629-73-2
DATE: 28.04.2005
Inoculum: Prepared according to guideline

Test Conditions: Test substance was emulsified with Dobane PT sulphonate.


The test concentration was 2 mg 1-tetradecene/L.

Results: 1-Tetradecene was degraded with 62-65% of the


theoretical 28-day oxygen demand.

Kinetic:
5 day = 47-51%
15 day = 80-87%
28 day = 62-65%

Remarks: The apparent discrepancy between 15-day and 28-day


values was explained by increased oxygen uptake in the
blanks only.

Reliability: (2) Reliable with restrictions: It is not known whether


the results met the 10 day window requirement of the
testing guideline. Only limited information was
available.

Reference: Turner, S.J. and Watkinson, R.J. (1985) 1-Tetradecene:


An Assessment of Ready Biodegradability. Shell Research
Limited, Sittingbourne Research Center (unpublished
report).

Other: This study was included in the dossier for 1-tetradecene


at SIAM 11.

E. Test Substance

Identity: CAS No. 1120-36-1, 1-Tetradecene – 98%

Method

Method/guideline: OECD 301B Modified Sturm

Type: Aerobic [X ] Anaerobic [ ]

GLP: Yes

Year: 1985

Contact time: 28 days


Inoculum: Prepared according to guideline

Test Conditions: Test substance was emulsified with Dobane PT sulphonate.


The test concentration was 20 mg 1-tetradecene/L.

Results: 1-Tetradecene was degraded with 48-56% after 28 days

Reliability: (2) Reliable with restrictions: Only limited information


was available.

Reference: Turner, S.J. and Watkinson, R.J. (1985) 1-Tetradecene:


An Assessment of Ready Biodegradability. Shell Research
Limited, Sittingbourne Research Center (unpublished
report).

598 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 629-73-2
DATE: 28.04.2005
Other: This study was included in the dossier for 1-tetradecene
at SIAM 11.

3.5 BOD5, COD or ratio BOD5/COD

No data available

3.6 Bioaccumulation

Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Method: BCF calculated value using the computer program EPIWIN, BCF v
2.15

Test Conditions: Based on chemical structure and Log Kow (estimated as 8.06 by
EPIWIN) using methods described by Meylan et al., 1999.
Formula used to make BCF estimate: Log BCF = -1.37 log Kow
+14.4 + correction (alkyl chains [8+ -CH2- groups] with a
value of -1.5).

Results

Value: Estimated Log BCF = 1.854 (BCF = 71.49)

Reliability: (2) Reliable with restrictions. Value was calculated.

Reference: Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved


method for estimating bioconcentration / bioaccumulation
factor from octanol/water partition coefficient. Environ.
Toxicol. Chem. 18(4): 664-672.

EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.

3.7 Additional Information

A. Sewage Treatment

Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Test Method: Calculated, EPIWIN STP Fugacity Model, predicted fate in


a wastewater treatment facility.
Input values: MW = 224.43; VP = 0.00264 mmHg; Henry’s LC = 6.1
atm-m3/mol; air-water partition coefficient = 249.472;
Log Kow = 8.06; biomass to water partition coefficient =
2.29631E+007; temperature = 25°C
GLP: No
Test Medium: Secondary waste water treatment (water)
Test Type: Aerobic

UNEP PUBLICATIONS 599


OECD SIDS 1-HEXADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 629-73-2
DATE: 28.04.2005
Test Results: 96.99 % removed from wastewater treatment

Reliability: (2) Reliable with restrictions: Value was calculated.

Reference: EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

600 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
4. ECOTOXICITY ID: 629-73-2
DATE: 28.04.2005
4.1 Acute Toxicity to Fish

A. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene (~93%, GULFTENE 16)

Method

Method/guideline: OECD 203


Test type: Semi-static Fish Acute Toxicity Test
GLP: Yes [X ] No [ ]
Year: 1993
Species/Strain: Oncorhynchus mykiss (Rainbow trout)
Analytical Monitoring: Water samples were taken from the control and each
exposure level at 0 hours for test concentration
verification. The concentrations were analyzed using an
Ionics TC/TOC Analyser Model 555. The analytical
detection limit was not reported. Since the values
obtained at 0 hours demonstrated that Total Carbon
(dissolved) values for the exposure media were no higher
than the control level, analysis was not carried out at
other time points.

Exposure period: 96 hours


Statistical methods: Not specified

Test Conditions: A study was performed to assess the acute toxicity of


GULFTENE 16 to rainbow trout (Oncorhynchus mykiss) under
semistatic conditions (daily renewal).

The water accommodated fraction (WAF) was prepared by


mixing 1000 mg/l GULFTENE 16 with water. The mixture
was stirred on magnetic stirrers for 24 hours at 14°C
and then allowed to settle for approximately 1 hour.
The WAF was then withdrawn via a siphon prior to
dilution to the required exposure levels and testing.

The test water was laboratory tap water (filtered,


dechlorinated and softened; hardness = 164 + 9 mg
CaCO3/L; alkalinity = 210). Test temperature was 13-
14°C. Photoperiod was 16 h light and 8 h dark. pH ranged
from 7.7 to 8.1. Dissolved oxygen ranged from 9.9 to 10
mg O2/L.

Groups of ten juvenile fish (5 test concentrations


plus one control) were exposed for 96 hours to a
dilution series of a single WAF of GULFTENE 16 (100 %
WAF equivalent to 1000 mg/L). The size of the control
fish at the end of the exposure period was 5.1+ 0.5 cm
and the weight was 1.73 + 0.51 g. Supplementary
aeration was provided. The test concentrations were 10,
18, 32, 56, and 100% WAF. Observations were made on the
numbers of dead fish and the incidence of sub-lethal
effects after 3, 6, 24, 72 and 96 hours exposure.

Results: The 96-hour LC50 was > solubility; LL0 = 1000 mg/L
loading rate WAF.

The NOEC was 1000 mg/L loading rate WAF.

UNEP PUBLICATIONS 601


OECD SIDS 1-HEXADECENE
4. ECOTOXICITY ID: 629-73-2
DATE: 28.04.2005
Remarks: There were no mortalities or sub-lethal effects. Values
obtained at 0 hours demonstrated that Total Carbon
(dissolved) values (TOC) for the exposure media were no
higher than that of the control level. TOC values for
the experimental medium were 21.0-22.5 mg/L vs 23.0 mg/L
for the control. The actual concentration was
negligible.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Huntingdon Research Centre (1993) GULFTENE 16 (water


accommodated fraction) acute toxicity to rainbow trout,
Study No. CHR 47(a)/930363. Conducted for Chevron
Research and Technology Company (unpublished report).

B. Test Substance

Identity: CAS No. 26952-14-7 (Hexadecene, 49%) and 27070-58-2


(Octadecene 49%) with 2% C32-36 olefins as impurities;
double bond occurs at all locations along the carbon
chain; 20-30% methyl branching

Method

Method/guideline: OECD 203


Test type: Semistatic Fish Acute Toxicity Test
GLP: Yes [X ] No [ ]
Year: 1995
Species/Strain: Scopthalmus maximus
Analytical Monitoring: no
Exposure period: 96 hours
Statistical methods: Not specified

Test Conditions: Based on range-finding data, the definitive test (semi-


static) was conducted on 5 dose levels (loading levels
of 1000, 1800, 3200, 5600, and 10000) and a control.
Actual concentrations in test media were not measured.
Juvenile turbot of approximately 3cm in length were used
in all tests. Fish supplied by Mannin Seafarms Ltd.
(Scotland) were maintained in controlled conditions of
approximately 18 °C with constant illumination. The pH
ranged from 7.8 to 8.3. The dissolved oxygen ranged from
85% to 98%. The tests were conducted in 14L capacity
moulded soda-lime glass tanks containing 10 liters of
test media (1 µm filtered UV treated seawater) . The
test material was added directly to the appropriate tank
and the test media was replaced at 48 hours. A single
vessel was used per test concentration and gentle
aeration was supplied. Ten animals were exposed per
test concentration for 96 hours with observations being
conducted at 24 hour intervals.

Results: After 96 hours, no mortality was observed at the maximum


dose level of 10,000 mg/L (loading levels), therefore,
the LC50 was greater than solubility and the LL0
was10,000 mg/L. The actual concentration was negligible.

602 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
4. ECOTOXICITY ID: 629-73-2
DATE: 28.04.2005
Reliability: (2) Reliable with restrictions. The study was conducted
under GLPs and can be considered a guideline study.
However, The substance was tested at concentrations
above the water solubility limit and concentrations were
not verified by analysis. Toxicity endpoint was
expressed as the initial nominal concentration. Also,
constant illumination was used during the study instead
of the recommended 12-16 hour photoperiod.

References: Environment & Resource Technology Ltd. (1997)


Assessment of the aquatic-phase toxicity of C16-C18
Alpha Olefin to the marine fish, Scopthalmus maximus,
Study No. 074-5-1. Conducted for Chevron Chemical
Company (unpublished report).

C. Test Substance

Identity: CAS No. 1120-36-1, 1-Tetradecene

Remarks: Test articles from three suppliers were blended to


produce the final test article consisting of 99% 1-
tetradecene.

Method

Method/guideline: OECD 203


Test type: 96 hour semistatic toxicity test
GLP: Yes
Year: 1995
Species/Strain: Rainbow trout (Oncorhynchus mykiss)
Analytical Monitoring: Total organic carbon (TOC) concentration was
measured in a sample taken from each treatment and
control solution, prior to addition of the fish. The TOC
concentrations were measured with a Shimadzu Model TOC-
5000 analyzer.
Exposure period: 96 hr
Statistical methods: The 96 hr LC50 value was estimated by visual
inspection of the mortality data.

Test Conditions: Water-accommodated fractions (WAFs) were prepared by


adding the appropriate amount of 1-tetradecene to
dilution water on a weight-volume basis. The WAFs were
mixed for 24 hours inside a covered glass vessel using a
magnetic stirrer at a speed that produced a vortex
extending 30-50% from the surface to the bottom of the
vessel. After the mixing period, the mixture was
allowed to settle for one hour before the water phase
containing the WAF was siphoned off and used as the test
solution. Test solutions were renewed daily using
freshly prepared WAFs.

Fish eggs were supplied by Mt. Lassen Trout Farm, Red


Bluff, CA; hatched at Wildlife International; and held
for approximately 41 days prior to the definitive test.
The average length of 7 negative control fish measured
at the end of the definitive test was 31 mm with a range
of 29-32 mm. The average wet weight of 7 negative

UNEP PUBLICATIONS 603


OECD SIDS 1-HEXADECENE
4. ECOTOXICITY ID: 629-73-2
DATE: 28.04.2005
control fish at the end of the test was 0.38 g with a
range of 0.33 – 0.45 g. Loading = 0.90 g/L.

The water used for culturing and testing was freshwater


from a well on the laboratory site. Zero-hour dilution
water measurements: conductivity = 305-310 µ S/cm;
hardness = 128 mg/L as CaCO3; alkalinity = 176-178 mg/L
as CaCO3. The temperature measured continuously during
the test ranged from 14.0 – 16.5 °C. Light intensity at
test initiation was approximately 911 lux at the surface
of the water (photoperiod: 16 hrs light and 8 hrs
darkness). On Day 1, dissolved oxygen concentrations
dropped as low as 5.2 mg/L (52% of saturation). All
other dissolved oxygen concentrations measured were
above 60% of saturation. pH = 7.6-8.4.

The range finding test used test concentrations of WAFs


from 10, 100, and 1000 mg test article per liter, and
five fish per chamber. No deaths were seen during the
range finding test.

A definitive limit test was then conducted using 7 fish


per chamber and two replicates each in the control and
treatment (WAF from 1000 mg/L) groups.

Results: LC50 (96 hr) > solubility

LL0 = 1000 mg/L (EPA reviewed for SIAM 11)

Remarks: No deaths or abnormal signs were noted at any time point


in the control or treated groups. Test organisms
appeared normal and healthy throughout the test. The 96-
hour LC50 was thus greater than WAF from 1000 mg test
article/liter.

LL0 = lethal loading based on the WAF testing procedure,


no mortality observed at the highest loading indicated.

Measurement of TOC ranged from less than the limit of


detection (0.5 mg/L) to 1.4 mg/L. Based on the
acceptable precision of TOC measurements at Wildlife
International (+15%), WAFs of 1-tetradecene were
indistinguishable from untreated control water.

Reliability: (1) Reliable without restrictions.

References: Drottar, L.R., and Swigert, J.P. (1995) 1-Tetradecene: A


Water-Accommodated Fraction 96-hour Semistatic Acute
Toxicity Test with the Rainbow Trout (Oncorhyncus
mykiss). Conducted by Wildlife International Ltd.,
Easton, Maryland, Report No. 398A-102A. for the
Chemical Manufacturers Association, Alpha Olefins Panel,
Sponsor (unpublished report).

604 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
4. ECOTOXICITY ID: 629-73-2
DATE: 28.04.2005
Other: This study was included in the dossier for 1-tetradecene
at SIAM 11. Additional information has been added.

4.2 Acute Toxicity to Aquatic Invertebrates (e.g. Daphnia)

Test Substance

Identity: CAS No. 1120-36-1, 1-Tetradecene

Remarks: Blend of three suppliers’ 1-tetradecene, 99% purity

Method

Method/guideline: OECD 202, Part 1


Test type: Semi-static
GLP: Yes
Year: 1995
Analytical Monitoring: Total organic carbon (TOC) concentration was measured in
a sample taken from each treatment and control solution, prior
to addition of the daphnids. The TOC concentrations were
measured with a Shimadzu Model TOC-5000 analyzer. The limit of
detection was 0.5 mg/L.
Species/Strain: Daphnia magna
Exposure period: 48 hrs
Statistical methods: The 48 hr EC50 value was estimated by visual inspection
of the mortality/immobility data.

Test Conditions: This study was a semi-static study using a water-accommodating


fraction (WAF) of test article. Water-accommodated fractions
(WAFs) were prepared by adding the appropriate amount of 1-
tetradecene to dilution water on a weight-volume basis. The
WAFs were mixed for 24 hours inside a covered glass vessel
using a magnetic stirrer at a speed that produced a vortex
extending 30-50% from the surface to the bottom of the vessel.
After the mixing period, the mixture was allowed to settle for
one hour before the water phase containing the WAF was
siphoned off and used as the test solution. Test solutions
were renewed on Day-1 of the test using freshly prepared WAFs.

Neonate daphnids used for tests, less than 24 hours old, were
obtained from cultures maintained by Wildlife International.
The test chambers were 250-ml glass beakers containing
approximately 200 ml of test solution. The chambers were
covered with plastic wrap.

The water used for culturing and testing was freshwater from a
well on the laboratory site. Zero-hour dilution water
measurements: conductivity = 340 µmhos/cm; hardness = 132
mg/L as CaCO3; alkalinity = 184 mg/L as CaCO3. The temperature
measured continuously during the test ranged from 19.5 – 20.5
°C. Light intensity at test initiation was approximately 725
lux at the surface of the water (photoperiod: 16 hrs light and
8 hrs darkness). Dissolved oxygen concentrations were above
60% of saturation. pH = 8.3-8.5.

In the range-finding test, daphnia were exposed to the WAFs


prepared from 10, 100, or 1000 mg/L test article in water. No
deaths occurred during the range-finding test. The definitive

UNEP PUBLICATIONS 605


OECD SIDS 1-HEXADECENE
4. ECOTOXICITY ID: 629-73-2
DATE: 28.04.2005
limit test used a single WAF prepared from test article at
1000 mg/L and a negative control (well water). Four replicate
test chambers were maintained in the treatment and control
groups, with 5 daphnids in each chamber.

Results:

Element value: The 48-hour EC50 for Daphnia magna under the
conditions of this test was greater than the solubility. The
EL0 was 1000 mg/liter (WAF).

EL0 = effect loading based on the WAF testing procedure; no


effect observed at the highest loading indicated.

Remarks: Test organisms in the control group appeared


normal and healthy throughout the test. Some organisms in the
treatment group appeared to be “floating” but appeared normal
when re-submerged with a drop of water. All other organisms
appeared normal. Measurement of TOC ranged from 0.6 to 0.7
mg/L. Based on the acceptable precision of TOC measurements at
Wildlife International (+15%), WAFs of 1-tetradecene were
indistinguishable from untreated control water.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint

References: Drottar, L.R., and Swigert, J.P. (1995) 1-Tetradecene: A


Water-Accommodated Fraction 48-hour Semistatic Acute
Mobilization Test With the Cladoceran (Daphnia magna).
Conducted by Wildlife International LTD., Easton, Maryland,
Report No. 398A-103, for the Alpha Olefins Panel, Chemical
Manufacturers Association (unpublished report).

Other: This study was included in the dossier for 1-tetradecene


at SIAM 11. Additional information has been added.

4.3 Toxicity to Aquatic Plants (e.g. Algae)

A. Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene (~93%, GULFTENE 16)

Method

Method/guideline: OECD 201


Test type: static
GLP: Yes [X ] No [ ]
Year: 1993
Analytical Monitoring: Water samples were taken from the control and each
exposure level at 0 hours for test concentration
verification. The concentrations were analyzed using an
Ionics TC/TOC Analyser Model 555. Since the values
obtained at 0 hours demonstrated that Total Carbon
(dissolved) values for the exposure media were no higher
than the control level, analysis was not carried out at
other time points. The limit of detection was not
reported.
Species/Strain: Selenastrum capricornutum
Element basis: Growth rate

606 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
4. ECOTOXICITY ID: 629-73-2
DATE: 28.04.2005
Exposure period: 72 hrs
Statistical methods: Not specified

Test Conditions: The water accommodated fraction (WAF) was prepared by


mixing 1000 mg/L GULFTENE 16 with water. The mixture
was stirred on a magnetic stirrer for 24 hours at 24°C
and then allowed to settle for approximately 1 hour.
The WAF was then withdrawn via a siphon and 100 ml was
measured into 250 ml conical flasks. Flasks were
prepared and 2 ml of a concentrated algal suspension of
Selenastrum capricornutum (0.870 absorbance @ 665 nm)
were added to each flask in order to produce the correct
starting cell density. The flasks were loosely
stoppered. Algal cultures were exposed to 6 replicates
of a single WAF of GULFTENE 16 (100% WAF equivalent to
1000 mg/L). The exposed cultures plus one control (6
replicates) were incubated without media renewal on an
orbital shaker under continuous illumination (~7000 lux)
at 24°C for 72 hours. Growth was monitored daily by
measuring the absorbance of each culture. The cell
densities at initiation and termination for the control
were determined by direct counting with a
haemocytometer.

Results: The 72-hour EbC50 was > solubility; the EbL0 was 1000
mg/L loading rate WAF.
The 24-48-hour ErC50 was > solubility; the ErL0 was1000
mg/L loading rate WAF.
The NOEC was 1000 mg/L loading rate WAF.

EL0 = effect loading based on the WAF testing procedure;


no effect observed at the highest loading indicated.

Remarks: The mean cell density of the control at 0 hours


was 8.25 x 10[4] cells/ml and at 72 hours was 2.78 x
10[6] cells/ml. All test and control cultures were
inspected microscopically at 72 hours. There were no
abnormalities detected. The values obtained at 0 hours
demonstrated that Total Carbon (dissolved) values for
the exposure media were no higher than that of the
control level. The TOC value for experimental media was
8.05 mg/L vs 8.70 mg/L for the control. The actual
concentration was negligible.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint

References: Huntingdon Research Centre (1993) GULFTENE 16 (water


accommodated fraction) Algal Growth Inhibition, Project
No. CHR 47(a)/930363. Conducted for Chevron Research
and Technology Company (unpublished report).

B. Test Substance

Identity: CAS No. 1120-36-1, 1-Tetradecene

Remarks: Blend of three supplier’s 1-tetradecene, 99% purity

UNEP PUBLICATIONS 607


OECD SIDS 1-HEXADECENE
4. ECOTOXICITY ID: 629-73-2
DATE: 28.04.2005

Method

Method/guideline: OECD 201


Test type: static
GLP: Yes [X ] No [ ]
Year: 1995
Analytical Monitoring: Total organic carbon (TOC) concentration was
measured in a sample taken from each treatment and
control solution, prior to addition of the fish. The TOC
concentrations were measured with a Shimadzu Model TOC-
5000 analyzer. Because TOC could not provide an accurate
measurement of the loading of 1-tetradecene in the test
water, this analysis was not performed for the
definitive test.
Species/Strain: Selenastrum capricornutum
Element basis: Growth rate
Exposure period: 96 hrs
Statistical methods:

Test Conditions: This study was a static study using a water-


accommodating fraction (WAF) of test article. Water-
accommodated fractions (WAFs) were prepared by adding
the appropriate amount of 1-tetradecene to dilution
water on a weight-volume basis. The WAFs were mixed for
24 hours inside a covered glass vessel using a magnetic
stirrer at a speed that produced a vortex extending 30-
50% from the surface to the bottom of the vessel. After
the mixing period, the mixture was allowed to settle for
one hour before the water phase containing the WAF was
siphoned off and used as the test solution.

Algal cells used for tests were obtained from cultures


maintained by Wildlife International. Cells less than 24
hours old were obtained from cultures that had been
actively growing in culture medium for at least 2 wks
prior to test initiation. The test chambers were 250-ml
Erlenmeyer flasks containing approximately 100 ml of
test solution or control medium. The test flasks were
plugged with gauze-wrapped cotton stoppers and shaken
continuously at approx. 100 rpm.

Algal cells were cultured and tested in freshwater algal


medium [ASTM Standard Guide 1218-90E. Standard Guide for
Conducting Static 96-hr Toxicity Tests with microalgae.
August 1990].The water used for culturing and testing
was freshwater from a well on the laboratory site. The
pH of the medium was adjusted to 7.5 + 0.1. The
temperatures ranged from 23.5 – 24.5 °C. Light
intensity (continuous cool-white fluorescent) ranged
from 6400 – 8270 lux. pH was 7.4 at 0 hrs and 8.7 and
8.3 for the treatment and control group, respectively,
at 96 hrs.

At test initiation, an inoculum of the algal cells was


prepared at a concentration of approx. 1.0 x 106
cells/ml. The concentration was verified and 1.0 ml was
added to each test chamber to achieve a nominal
concentration of approx. 10,000 cells/ml.

608 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
4. ECOTOXICITY ID: 629-73-2
DATE: 28.04.2005

Two range-finding tests were conducted. The first used


WAFs from 10, 100 and 1000 mg/L, and the second used
WAFs from 1.0, 5.0, 10, 100, and 1000 mg/L. The second
test showed less than 50% inhibition of algal biomass at
each treatment level.

A definitive limit test was conducted with a single WAF


(from 1000 mg/L) and a culture medium negative control.
Cell densities were used to calculate area under the
growth curve values, which were subsequently used to
calculate percent inhibition values relative to the
control over the 96-hour exposure period. Cell counts
were conducted using a hemacytometer and microscope. EBC
50 values (the theoretical toxicant concentrations that
would produce a 50% reduction in algal biomass) were
determined for 72 and 96 hours of exposure.

Experimental design (definitive test): a single WAF of


1000 mg/L, and a negative (culture medium) control; 6
replicate test chambers for the negative control and 3
replicate test chambers for the treatment group.

Cell densities, area under the growth curve values and


percent inhibition values were calculated using “Lotus
1-2-3, Release 3.1” [Lotus Development Corp., copyright
1990]

Results: 72 and 96-hr EbC50 > solubility; EL0 = 1000 mg/L


(Nominal)

Remarks: EBC 50 values determined for 72 and 96 hours of exposure


were determined to be greater than the water
accommodating fraction from 1000 mg/L.

EL0 = effect loading based on the WAF testing procedure;


no effect observed at the highest loading indicated.

Measurement of TOC ranged from less than the limit of


detection (LOD) of 0.5 mg/L to 10.4 mg/L in the initial
rangefinding test, and from <LOD of 1.0 mg/L to 1.2 mg/L
in the second rangefinding test.

Reliability: (1) Reliable without restrictions.

References: Thompson, S.G., and Swigert, J.P. (1995) 1-Tetradecene:


A Water-Accommodating Fraction 96-hour Toxicity Test
with the Freshwater Alga (Selanastrum capricornutum).
Conducted by Wildlife International, Ltd., Easton,
Maryland, Report No. 398A-101, for Chemical
Manufacturers Association, Alpha Olefins Panel
(unpublished report).

Other: This study was included in the dossier for 1-tetradecene


at SIAM 11. Additional information has been added.

UNEP PUBLICATIONS 609


OECD SIDS 1-HEXADECENE
4. ECOTOXICITY ID: 629-73-2
DATE: 28.04.2005
4.4 Toxicity to Micro-organisms, e.g. Bacteria

A. Test Substance

Identity: CAS No. 1120-36-1, 1-Tetradecene (98%)

Method

Method : FMB SOP 021


GLP: No
Species: Pseudomonas fluorescens
Exposure
Period: 6 hours
Analytical
Monitoring: No data

Results: EC50 >1000 mg/L

Reliability: (2) Reliable with restrictions: comparable to guideline


study with acceptable restrictions

Reference: Turner, S.J. and Watkinson, R.J. (1985) 1-Tetradecene: An


Assessment of Ready Biodegradabiliy. Shell Research Limited,
Sittingbourne, UK (unpublished report)

Other: This study was included in the dossier for 1-tetradecene at


SIAM 11.

B. Test Substance

Identity: CAS No. 592-41-6, 1-Hexene; CAS No. 111-66-0, 1-Octene;


CAS No. 872-05-9, 1-Decene; CAS No. 1120-36-1, 1-
Tetradecene (Analytical Grade)

Method

Method : Acute static bioassay


GLP: No
Type: Aquatic
Species: Thirteen marine bacteria
Exposure Period: 16 hours
Analytical Monitoring: No data

Test Conditions: Water samples collected from Cleveland and Victoria


Point on the Brisbane coast, southeastern Queensland,
Australia, were cultured on marine salts medium
solidified with 1.5% agar. Thirteen different marine
bacteria were isolated and transferred to new media.
This culture was maintained at 30°C and subcultured
weekly. The test articles were dissolved in ethanol and
added to media (maximum 0.1 ml in 50 ml). 0.1 mg of
bacterial culture containing 8 x 1010 bacteria per ml
was added. Each experiment was performed in triplicate.
Controls consisting of bacteria inoculated into the
medium, without test compounds, both with and without
ethanol were run simultaneously. Absorbance at 600 nm
was determined, followed by incubation without shaking

610 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
4. ECOTOXICITY ID: 629-73-2
DATE: 28.04.2005
at 30°C. After 16 hours, the absorbance was remeasured
and the differences were calculated and expressed as a
percentage of the difference in absorbance of the
control. These data were then converted to Probit units
and least-squares linear regression equation against
toxicant concentration was obtained. From these
regression equations, the effective concentration of the
test compound that inhibits bacterial growth by 50 and
/or 10% (EC50 and EC10, respectively) was determined.

Results: Only 1-hexene exerted a toxic effect [log EC10 = -0.49];


however, the calculated log EC50 was 0.46, indicating a
value >100% saturation in sea water. The other 1-alkenes
were not toxic up to levels of 100% saturation.

Reliability: (1) Reliable without restrictions

Reference: Warne, M. St. J. Connell, D.W., Hawker, D. W., and G.


Schuurmann (1989) Quantitative Structure-Activity
Relationships for the Toxicity of Selected Shale Oil
Components to Mixed Marine Bacteria. Ecotoxicology and
Environmental Safety, 17: 133-148.

Other: This study was included in the dossiers for 1-hexene, 1-


octene, and 1-tetradecene at SIAM 11. Additional
information has been added.

C. Test Substance

Identity: CAS No. 1120-36-1, 1-Tetradecene (practical grade)

Method

Method :
GLP: No data
Species: Candida sp. and Saccharomyces calrsbergensis
Exposure
Period: 1 or 3 days
Analytical
Monitoring: No

Test Conditions: Two species of Candida which can use n-alkanes above C8
for growth (C. tropicalis NCYC4 and C. 107), and
Saccharomyces carlsbergensis (NCYC 530), which cannot
grow on hydrocarbons, were used in this study.
Organisms were grown in conical flasks at 30 °C with
shaking. For testing, yeasts were collected by
centrifugation, and washed with buffer before use.

When tested with aliphatic compounds, glucose was at 25


g/L with 2.5 g malt extract/L of basal salts medium.
This medium (20 mL) was in 100 mL flasks and inoculated
with 0.1 mL of glucose-grown yeast. Alkanes and
derivatives were tested at 10% (v/v). Candida 107 was
grown for one day, and the other yeast grown for 3 days.
A Beckman laboratory oxygen analyzer was used for
respiration measurements.

UNEP PUBLICATIONS 611


OECD SIDS 1-HEXADECENE
4. ECOTOXICITY ID: 629-73-2
DATE: 28.04.2005
Results: Good growth was seen in all three yeast tests with
tetradecene and glucose. Good growth was seen with
tetradecene alone in Candida 107 and C. tropicalis. No
growth was seen with Saccharomyces carlsbergensis and
tetradecene in the absence of glucose.

Reliability: (1) Reliable without restrictions

Reference: Gill, C.O., and Ratledge, C. (1972) Toxicity of n-


Alkanes, n-Alk-1-enes, n-Alkan-1-bromides towards
Yeasts. Journal of General Microbiology, 72:165-172.

Other: This study was included in the dossier for 1-


tetradecene at SIAM 11.

4.5 Chronic Toxicity to Aquatic Organisms

No data available

4.6 Toxicity to Terrestrial Organisms

A. Toxicity to Terrestrial Plants.

No data available

B. Toxicity to Soil Dwelling Organisms.

No data available

C. Toxicity to Other Non Mammalian Terrestrial Species (including Avian)

No data available

4.7 Biological Effects Monitoring (including Biomagnification)

No data available

4.8 Biotransformation and Kinetics

No data available

612 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
5.1 Toxicokinetics, Metabolism and Distribution

Test Substance: CAS No. 629-73-2, 1-Hexadecene

Method Non-standard
Test Type in-vitro
GLP No data available
Year Unknown

Method: 1-Hexadecene and an epoxide hydrolase inhibitor were


incubated with rabbit liver microsomes and an extract was analyzed.

Test Conditions:
1-Hexadecene (10 µmoles), dissolved in acetone,
was incubated at 37°C for 30 min in air with rabbit
liver microsomes (equivalent to 2 g tissue) suspended in
0.1 M phosphate buffer, pH 7.4, in the presence of a
NADPH-generating system. The inhibitor, 1,2-epoxydecane
(10 mM), was dissolved in the acetone together with the
substrate. The reaction was terminated by the addition
of 2ml 5N sodium hydroxide, and the mixture extracted
with 30 ml ether containing 1,2-epoxytetradecane or 1,2-
dihydroxytetradecane as the internal reference for the
quantitative determination of metabolites. After
concentration of the extract, the residual solution was
subjected to silica gel thin-layer chromatography
developed in benzene-acetone (5:1). Elution of epoxides
and glycols from chromatograms was carried out
separately with ethanol. The eluates were analyzed by
gas-chromatography-mass spectroscopy.

Results:
The formation of the epoxide (1,2-epoxyhexadecane, 2.4
µg) was observed only when the olefin was incubated in
the presence of the epoxide hydrolase inhibitor 1,2-
epoxydecane. In the absence of inhibitor, 1,2-
dihydroxyhexadecane was formed (16.1 µg).

Conclusions:
The authors concluded these results indicate that 1-
hexadecene is metabolized to 1,2-dihydroxyhexadecane via
1,2-epoxyhexadecane.

Reliability: (1) Reliable without restrictions

Reference:
Watabe, T. and Yamada, N. (1975) The biotransformation
of 1-hexadecene to carcinogenic 1,2-epoxyhexadecane by
hepatic microsomes. Biochemical Pharmacology 24 :1051-
1053.

5.2 Acute Toxicity

A. Acute oral toxicity

(1) Test Substance

UNEP PUBLICATIONS 613


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
Identity (purity): CAS No. 629-73-2, 1-Hexadecene (~93%,
GULFTENE 16)

Method

Method/guideline: OECD 401


Type (test type): LD50
GLP: Yes
Year: 1992
Species/Strain: Sprague-Dawley Rat
Sex: Male and female
No. of animals per
sex per dose: 5

Vehicle: None
Route of
administration: Oral gavage

Test Conditions: The purpose of this peroral toxicity test was to


assess the potential for neurotoxicity. The test
material was administered as single gavage doses
(5.0 g/kg) or divided gavage doses (10.0 g/kg) for
which 2 equal portions were given approximately 1
hour apart to groups of 5 female and 5 male fasted
Sprague-Dawley rats (weighing between 200 and 299
g, approximately 7-13 weeks of age). Following
dosing, the animals were observed for 14 days.
When clinical signs indicated neurotoxicity, a
battery of functional tests was conducted on Days
1, 2, and 14, and additionally when thought
necessary by the neuro-toxicologist. Body weights
were recorded on Days 0, 7, 14 and at termination.
All animals were necropsied after death or
sacrifice. Statistical methods were not specified.

Results:

Value: LD50 > 10,000 mg/kg


Number of deaths
at each dose level: No deaths were observed at 5.0 g/kg. At
10.0 g/kg, 2 of 5 males and 2 of 5 females died.

Remarks: At 10 g/kg, all animals showed signs of toxicity


including wetness on perineal fur, red crust on
perinasal and periocular fur, greasy-textured fur,
irritation and alopecia of extremities and
abdominal area, red extremities, aggressive
behavior (probably attributable to the local
irritation), sluggishness, and excess discharge
from the perineal area; 3/5 males and 3/5 females
appeared to be emaciated; 1/5 males and 3/5
females exhibited kyphosis; 4/5 males and 5/5
females exhibited abnormal gait/hindlimb motion
and/or walking on toes (probably resulting from
the irritation). Several animals exhibited weight
depression (or loss) through 7 days or more (mean
weight change at 7 days: -43 g to 2 g [males] and
-63 g to 1 g [females]; at 14 days: 7 g to 40 g
[males] and –24 g to 32 g [females]). Necropsy
(rats that died) revealed discoloration of lungs
(1/2 males and females), intestines (2/2 males and

614 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
females), liver (1/2 males) and kidneys (1/2
males). Survivors had no remarkable gross lesions.

At 5 g/kg, all animals showed signs of toxicity


including greasy wetness on perineal fur and
extending over the entire hindquarter area, red
crust on perinasal fur, irritation and alopecia of
perineal area and outer hindlimbs; 1/5 males and
5/5 females exhibited kyphosis; 1/5 males and 4/5
females were observed walking on toes (probably
resulting from the irritation). All animals
gained weight and had no remarkable gross lesions.

At both dose levels, microscopic evaluation of


brains, spinal cords, sciatic nerves and
pituitaries revealed no lesions.

A detailed neurotoxicological examination, showed


numerous gait, postural and behavioral effects.
Alterations in behavior were observed for all
animals at 10 g/kg beginning 1 day after dosing.
These were generally gone by the evaluation 14
days after dosing, The peak effects, with respect
to number and severity of signs, were generally
observed 2 days after dosing. Similar
alterations, although less severe, were observed
for animals treated with 5 g/kg during the first
two days after treatment. These findings were
considered likely to be secondary to irritation of
the abdominal, perianal, and hindlimb areas caused
by the excreted test material. This conclusion is
based on the pattern of behavioral findings, the
time course for the behavioral changes, clinical
signs of irritation, and the lack of
neuropathological lesions in the central or
peripheral nervous system to support a conclusion
of a primary neurotoxicant effect.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint.

References: Bushy Run Research Center (1992) GULFTENE 16


(Hexadecene-1): Acute peroral toxicity testing in
the rat, Project 91N0035. Conducted for Chevron
Research and Technology Company (unpublished
report).

(2) Test Substance

Identity (purity): CAS No. 26952-14-7 (Hexadecene, >98%, 20-30%


branched, double bond randomized along carbon
chain)

Method

Method/guideline: EPA OPP 81-1


Type (test type): LD50
GLP: Yes [X ] No [ ]
Year: 1993

UNEP PUBLICATIONS 615


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
Species/Strain: Rat/HSD:SD
Sex: Males and females
No. of animals per
sex per dose: 5

Vehicle: None
Route of
administration: Oral gavage

Test Conditions: Single doses of 5050 mg/kg of undiluted test


material were administered intragastrically to
groups of 5 male and 5 female fasted albino rats
(young adults, 208-238 g [males], 194-203 g
[females]). Animals were observed for 14 days.
Individual body weights were recorded on Days 0,
7, and 14. A gross necropsy was performed on each
animal at the termination of the study.
Statistical methods were not used.

Results:

Value: LD50 > 5050 mg/kg


Number of deaths
at each dose level: No deaths at 5050 mg/kg

Remarks: No deaths were observed. All animals gained


weight during the study. Signs of toxicity
included activity decrease in all females; and
piloerection and polyuria seen in all animals,
which were no longer evident by Day 7. Alopecia
was observed in all animals on Days 7 through 14.
The gross necropsy conducted on all animals at
termination of the study revealed no observable
abnormalities in any of the animals. The acute
oral LD50 was greater than 5050 mg/kg.

Reliability: (1) Reliable without restrictions

References: Stillmeadow, Inc. (1993) C16 Alpha Olefin,


Isomerized: Acute Oral Toxicity Study in Rats,
Study No. 0490-93. Conducted for Chevron Chemical
Company (unpublished report).

(3) Test Substance

Identity (purity): C14-16 Alpha Olefins

Remarks: Blend of CAS No. 1120-36-1, 1-Tetradecene; CAS No.


629-73-2, 1-Hexadecene (proportions unknown)

Method

Method/guideline: no data
Type (test type): LD50
GLP: No
Year: 1977
Species/Strain: Rat
Sex: no data
No. of animals per
sex per dose: no data

616 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005

Vehicle: no data
Route of
administration: Oral gavage

Test Conditions: After a fast of 18 hours, a single oral dose of 10


g/kg body weight was given. Survival was such that
the LD50 value was greater than 10 g/kg.

Results:

Value: LD50 > 10 g/kg

Reliability: (2) Reliable with restrictions: Incomplete


reporting.

References: Ethyl Corporation (1977) Toxicology Evaluation of


Ethyl Compound. Gulf South Research Institute
P.O. Box 1177 New Iberia, LA 70560 (unpublished
report).

Other: This study was included in the dossier for


1-tetradecene at SIAM 11.

B. Acute inhalation toxicity

(1) Test Substance

Identity (purity): CAS No. 629-73-2, 1-Hexadecene (~93%)

Method

Method/guideline: 1-hr exposures to seven different concentrations


in a dynamic exposure system.
Type (test type): LC50
GLP: Yes [ ] No [X ]
Year: 1967
Species/Strain: Rat/Wistar
Sex: Males
No. of animals per
sex per dose: Not reported

Vehicle: None
Route of
administration: Inhalation

Test Conditions: Groups of male albino Wistar rats weighing between


209 and 299 g were exposed for 1 hour to saturated
mists of the test substance and observed for 14
days. The number of animals per group was not
reported. The animals were observed for toxic
signs during exposure and were periodically
weighed for 14 days after exposure. On the 14th
day, they were sacrificed for the determination of
gross pathological changes.

The saturated mists were prepared by placing a


Dautrabanda nebulizer within the exposure chamber
and passing an air line and olefin feed line to it
from outside. This aerosol generator produces
particles no larger than 8 µ in diameter. It was

UNEP PUBLICATIONS 617


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
found experimentally that the maximum mist
concentration was achieved when the nebulizer was
operating at an air flow of 2 L/min with about 50
ml of olefin in the reservoir. Estimates of mist
concentration were made from measurement of the
volume loss from the nebulizer reservoir and total
air flow through the system. Additionally, a
sample holder containing a millipore filter was
positioned downward in the chamber and air drawn
through at a rate calculated to collect suspended
particles of 2 µ or less. The lower size limit of
collection by the filter was expected to be 0.45µ
. Papers were weighed before and after collection
and the weight gain used to calculate
concentration of particles in the 0.45-2.0 µ
range. Statistical methods were not used.

Results:

Value: LC50 >8500 mg/m3 (926 ppm)


Number of deaths
at each dose level: None

Remarks: The aerosol generator produced particles that were


<8 microns in diameter. Rats showed a drowsy
appearance on removal from the chamber. The
drowsiness/ lethargy disappeared rapidly when
animals were removed from exposure. The fur of
animals was “oily” from deposition of particles.
There was no mortality and no significant weight
change or gross pathological change on autopsy.
Estimated exposure concentrations were 8500 mg/m3
for particles <8µ and 150 mg/m3 for particles
0.45 - 2.0µ . These concentrations represented
very heavy mists. Visability through the chamber
(12” diameter) was impossible. The LC50 was > 8500
mg/m3.

Reliability: (2) Reliable with restrictions: No information is


given on the number of animals dosed and there are
limited details of procedures.

Flag: Key study for SIDS endpoint.

References: Rinehart, W.E. (1967) Toxicological Studies on


Several Alpha Olefins. University of Pittsburgh,
submitted to Gulf Research and Development Co.
(unpublished report).

(2) Test Substance

Identity (purity): CAS No. 629-73-2, 1-Hexadecene (min. 90.6%


with vinylidenes [max. 7.5%], internal olefins
[max. 2%], paraffins [max.1.5%] as impurities.

Method

Method/guideline: The test was performed in accordance with the


OECD Guideline No. 403 “Acute Inhalation

618 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
Toxicity“, Adopted 12 May 1981 with only minor
deviation in the measurement of humidity.

Type (test type): LC50


GLP: Yes [ ] No [X ]
Year: 1991
Species/Strain: Rat/Wistar
Sex: Males and females
No. of animals per
sex per dose: 5

Vehicle: None
Route of
administration: Inhalation (aerosol)

Test Conditions: The animals were received from breeding station


VELAZ, Prague, Czech Republic. The rats were
housed in a conventional animal house with
artificial light–dark cycle (12h and 12h) in
plastic cages. Microclimatic parameters : 22 ± 2
ºC, humidity 30-70 %. The rats were fed by
standard pelleted diet (VELAZ, Prague) and tap
water (quality for human consumption). Eight
groups of 10 rats each (5 males and 5 females,
weight 161-266 g) were exposed for 4 hrs to
concentrations of 0, 2.37, 3.29, 4.00, 4.88,
5.75, 6.64, and 7.68 mg/L (0, 258, 358, 436, 532,
626, 723, 836 ppm). The test substance was
administered in air using a glass, nose-only
inhalation chamber with a flow rate of 0.66 m3/hr.
The air flow was maintained to allow 12-15 changes
of air per hour. Slight negative pressure was
maintained in the chamber during the test. Air
flow was measured continually. The temperature,
but not humidity, was measured inside the
apparatus. The test substance was delivered to
the chamber by an aerosol generator. Actual
concentration of the test substance in the test
chamber was measured gravimetrically in 30 min
intervals. The particle size was also measured.
The mean value was 4.78 µm.

After the exposure, the rats were moved to


separate cages. Times of deaths were recorded
precisely. Rats that died during exposure were
immediately necropsied and samples were taken for
histopathology evaluation. During the 14 days
following exposure, rats were observed twice per
day with a 4-hr interval between observations. At
the end of the 14-day observation period, the
animals were euthanized and necropsied, and
samples were taken for histopathology evaluation.
Rats were weighed after exposure and on Day 7 and
Day 14.

UNEP PUBLICATIONS 619


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
Results:

Value: LC50: 6.359 g/m3 (6.359 mg/L, 693 ppm)

Number of deaths
at each dose level: See Remarks

Remarks: Concentration Occurrence of Num. of deaths Time of death


pathological signs

(mg/l) (M/FM) (M/FM) (min)

2.37 10 (5/5) 0
3.29 10 (5/5) 2 (2/0) 76M,182FM
4.00 10 (5/5) 2 (1/1) 45FM,at 16hrsM
4.88 10 (5/5) 2 (2/0) 43M,50FM
5.75 10 (5/5) 4 (2/2) 78FM,195FM,5
after finish
of appl.,at
16hrsM
6.64 10 (5/5) 4 (3/1) 45M,143M,
at16hrs M+FM
7.68 10 (5/5) 8 (4/4) 48FM, 59M+FM,
70M+FM, 192M,
until 16hrs M+FM

Effects were not dose-dependent. The only


concentration without signs of toxic effects at 24
hrs after exposure was 2.37 g/m3. Exposure of
rats to higher concentrations caused only slight
eye-lid turgidity connected with mild flux from
nose and eyes. Microscopic changes that could be
associated with exposure to the test substance
were seen in the respiratory tract at 3.29 g/m3
and above. These changes observed in the lung were
suggestive of lung congestion and acute
hypertension accompanied by hemorrhage. No
histopathology was found in animals that survived
to the end of the study (14 days).

Conclusions: The LC50 = 6.359 (5.502-7.337) g/m3, determined by


Bliss method. 1-hexadecene at > 3.29 g/m3 caused
acute hypertension accompanied by hemorrhage in
the lungs. (conclusions of study author)

Reliability: (2) Reliable with restrictions; the study was not


conducted under GLPs

References: Research Institute of Organic Synthesis a.s,


Pardubice, Czech Republic, Test No. T2219
(unpublished report).

(3) Test Substance

Identity (purity): C12-16 Alpha Olefin Fraction (GULFTENE 12-16)

Remarks Blend of linear 1-dodecene (CAS No. 112-41-4), 1-


tetradecene (CAS No. 1120-36-1), and 1-hexadecene
(CAS No. 629-73-2). Composition of the blend was
undefined in the report; analysis of other

620 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
contemporary GULFTENE 12-16 blends showed 65-80%
C12, 16-25% C14, and 4-5% C16

Method

Method/guideline: 1-hr exposures to seven different concentrations


in a dynamic exposure system.
Type (test type): LC50
GLP: Yes [ ] No [X ]
Year: 1967
Species/Strain: Rat/Wistar
Sex: Males
No. of animals per
sex per dose: Not reported

Vehicle: None
Route of
administration: Inhalation

Test Conditions: Groups of male albino Wistar rats weighing between


209 and 299 g were exposed for 1 hour to saturated
mists of the test substance and observed for 14
days. The number of animals per group was not
reported. The animals were observed for toxic
signs during exposure and were periodically
weighed for 14 days after exposure. On the 14th
day, they were sacrificed for the determination of
gross pathological changes.

The saturated mists were prepared by placing a


Dautrabanda nebulizer within the exposure chamber
and passing an air line and olefin feed line to it
from outside. This aerosol generator produces
particles no larger than 8 µ in diameter. It was
found experimentally that the maximum mist
concentration was achieved when the nebulizer was
operating at an air flow of 2 L/min with about 50
ml of olefin in the reservoir. Estimates of mist
concentration were made from measurement of the
volume loss from the nebulizer reservoir and total
air flow through the system. Additionally, a
sample holder containing a millipore filter was
positioned downward in the chamber and air drawn
through at a rate calculated to collect suspended
particles of 2 µ or less. The lower size limit of
collection by the filter was expected to be 0.45µ
. Papers were weighed before and after collection
and the weight gain used to calculate
concentration of particles in the 0.45-2.0 µ
range. Statistical methods were not used.

Results:

Value: LC50 >9900 mg/m3 ,


(1438 ppm)
Number of deaths
at each dose level: None

Remarks: The aerosol generator produced particles that were


<8 microns in diameter. Rats showed a drowsy
appearance on removal from the chamber. The
drowsiness/ lethargy disappeared rapidly when

UNEP PUBLICATIONS 621


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
animals were removed from exposure. The fur of
animals was “oily” from deposition of particles.
There was no mortality and no significant weight
change or gross pathological change on autopsy.
Estimated exposure concentrations were 9900 mg/m3
for particles <8µ and 100 mg/m3 for particles
0.45 - 2.0µ . These concentrations represented
very heavy mists. Visability through the chamber
(12” diameter) was impossible. The LC50 was > 9900
mg/m3.

Reliability: (2) Reliable with restrictions: No information is


given on the number of animals dosed and there are
limited details of procedures.

References: Rinehart, W.E. (1967) Toxicological Studies on


Several Alpha Olefins. University of Pittsburgh,
submitted to Gulf Research and Development Co.
(unpublished report).

Other: This study was included in the dossier for 1-


dodecene at SIAM 11. Additional information has
been added.

C. Acute dermal toxicity

(1) Test Substance

Identity (purity): CAS No. 68855-59-4, C14-16 Alpha Olefin


Blend (Typical composition C12-1.3%, C14-64.7%,
C16-33%, C18-1%, mono-olefin 99.6%, linear
terminal 76%, branched terminal 19%, linear
internal 5%)

Method

Method/guideline: Not specified


Type (test type): LD50
GLP: No
Year: 1976
Species/Strain: Rabbits/New Zealand White
Sex: Males and females
No. of animals
per sex per dose: 2 males, 2 females

Vehicle: None
Route of
administration: Dermal

Test Conditions: A C14-16 alpha olefin blend was tested for single
dose dermal toxicity in rabbits. Four New Zealand
white rabbits (2 male and 2 female, 2.3-3.0 kg)
were used. A dose of 10 grams per kilogram body
weight was applied to clipped and abraded test
sites. Sites were occluded for 24 hours and
animals observed for 14 days.

Results:

Value: LD50 > 10 g/kg


Number of deaths

622 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
at each dose level: No rabbits died during the 14-day
observation period and there were no visible signs
of toxicity. There was slight erythema on the
first day of observation.

Remarks: Survival was such that LD50’s were stated to be


greater than 10 grams per kilogram body weight.

Reliability: (2) Reliable with restrictions: incomplete


reporting

Reference: Carte, G. A report on the Acute Toxicity of Alpha


Olefins C14-16 Tulane University School of
Medicine August 1976; Ethyl Corporation, Sponsor
(unpublished report).

Flag: Key study for SIDS endpoint

Other: This study was included in the dossier for


1-tetradecene at SIAM 11. Additional information
has been added.

(2) Test Substance

Identity (purity): CAS No. 26952-14-7, Hexadecene (>98%)

Method

Method/guideline: EPA OPP 81-2


Type (test type): LD50
GLP: Yes
Year: 1993
Species/Strain: Rabbit/New Zealand white
Sex: Males and females
No. of animals
per sex per dose: 5

Vehicle: None
Route of
administration: Dermal

Test Conditions: The objective of this study was to determine the


acute dermal toxicity potential of the test
material. Each animal was prepared on the day
prior to treatment by clipping the dorsal surface
of the trunk free of hair to expose not less than
10% of the total body surface area. Five albino
rabbits of each sex (young adult [3-6 mos]
weighing 2.425-2.875 kg [males] and 2.400-2.750 kg
[females] were treated with a single dermal
application of 2020 mg/kg of undiluted test
material for 24 hours. The treated area was
covered with gauze and a semi-permeable dressing
(orthopedic stockinette) to retard evaporation of
volatile substances and to prevent possible
ingestion of the test material. After 24 hours
the wrappings and gauze were removed from the
animals. The exposed areas were gently washed

UNEP PUBLICATIONS 623


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
with room temperature tap water and a clean wet
cloth was used to remove as much remaining test
material as possible. Animals were observed for
pharmacologic and/or toxicologic signs including
signs of dermal irritation frequently throughout
the study. Individual body weights were recorded
on Days 0, 7, and 14. A gross necropsy was
conducted on each animal at the termination of the
study. Statistical methods were not used.

Results:

Value: LD50 > 2020 mg/kg


Number of deaths
at each dose level: One male died on Day 14 after final
observations had been made, but it was not
considered to be test material related.

Remarks: All surviving animals appeared normal for the


duration of the study and gained weight. The
gross necropsy conducted on each animal at
termination of the study revealed no observable
abnormalities in any of the animals. The acute
dermal LD50 was greater than 2020 mg/kg.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Stillmeadow, Inc. (1993) Acute Dermal Toxicity


Study in Rabbits, Study No. 0491-93. Conducted
for Chevron Chemical Company (unpublished report).

D. Acute toxicity, other routes

No data available

5.3 Corrosiveness/Irritation

A. Skin Irritation/Corrosion

(1) Test Substance: CAS No. 629-73-2, 1-Hexadecene (~93%, GULFTENE 16)

pH: Not applicable

Method: OECD 404

Test Type: in vivo


GLP: Yes
Year: 1995

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Male and female
Number of animals

624 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
per sex per dose: 5 males and 1 female

Total dose: 0.5 ml


Vehicle: None
Exposure time period: 4 hrs
Grading scale: Draize

Method Remarks: At the start of the study, the animals weighed


2.44 to 2.62 kg and were approximately 12 to 20
weeks old. One-half ml undiluted material was
applied to the unabraded skin on the shaved backs
of 6 rabbits, under a semi-occluded dressing
(cotton gauze patch placed in position with a strip
of porous tape; trunk wrapped in an elasticated
corset [TUBIGRIP]). A contralateral area of
untreated skin was identified to serve as the
control against which the reactions of the treated
site were evaluated. Four hours after application,
the corset and patches were removed and residual
test material was removed by swabbing with cotton
wool soaked in 74% Industrial Methylated Spirits.
The control sites were similarly swabbed. Scores
were made for erythema and edema at 0.5, 24, 48, 72
and 96 hr after removal of patches, and at 7 and 14
days after initiation of exposure.

Results: The 4-hr exposure produced very slight erythema at


two treated skin sites with well-defined erythema
at 4 treated skin sites at the 30-minute
observation. Very slight erythema was noted at one
treated skin site and well-defined erythema at 5
treated sites at the 24-hr observation. Very slight
erythema was apparent at all treated skin sites at
the 48 and 72-hr observations and persisted at 5
treated skin sites at the 96-hr observation.
Desquamation was noted at 5 treated sites at the
72-hr observation and at all treated sites at the
96-hr, 7 and 14-day observations. The desquamation
apparent at the 14-day observation was considered
to be reversible. The dermal reactions extended up
to 4 cm beyond all treated skin sites during the
study. Very slight edema was noted at 2 treated
sites and slight edema at 4 treated skin sites at
the 30-minute and 24-hr observations. Very slight
edema was noted at 4 treated sites at the 48-hr
observation and persisted at 2 sites at the 72-hr
observation. The Draize primary irritation index
was 2.46. The mean 24-72 hr scores for erythema
and edema were 1.3 and 0.9, respectively.

Reliability: (1) Reliable without restrictions

Reference: Driscoll, R. (1996) Acute dermal irritation test


in the rabbit with GULFTENE 16, Report 703/076.
Conducted by Safepharm Laboratories Ltd. for
Chevron Research and Technology Company
(unpublished report).

(2) Test Substance: CAS No. 26952-14-7 (Hexadecene, 49%)and 27070-58-2

UNEP PUBLICATIONS 625


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
(Octadecene 49%) with 2% C32-36 olefins as
impurities; double bond occurs at all locations
along the carbon chain; 20-30% methyl branching

pH: Not applicable

Method: OECD 404 except that only 3 animals were employed

Test Type: in vivo


GLP: Yes
Year: 1994

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Male and female
Number of animals
per sex per dose: 2 males and 1 female

Total dose: 0.5 ml


Vehicle: None
Exposure time period: 4 hr
Grading scale: Draize

Method Remarks: At the start of the study, the animals (young


adults) weighed 2.0 to 3.5 kg. One-half ml
undiluted material was applied to the unabraded
skin (approximately 6.25 cm2 ) on the shaved backs
of 3 rabbits, under a semi-occluded dressing
(cotton gauze patch covered with porous tape; trunk
loosely wrapped with a sheet of Texwipe® cotton
cloth). Each rabbit was fitted with an Elizabethan
collar during the exposure period. A contralateral
area of untreated skin served as the control
against which reactions of the treated site were
evaluated. After 4 hrs, patches were removed and
residual test substance was removed using a paper
towel moistened with tap water. Scores were made
for erythema and edema at 1, 24, 48 and 72 hr, and
at 7 and 14 days after initiation of exposure.

Results: The 4-hr exposure produced well-defined erythema


and very slight to slight edema which cleared by
day 14. No physical or behavioral abnormalities
were observed in any animal. The Draize primary
irritation index was 2.2/8. The averages (for each
animal) of 24-72 scores were 1.3, 2.0, and 1.3 for
erythema and 0.0, 0.3, and 0.3 for edema.

Reliability: (1) Reliable without restrictions

Reference: Morris, T. (1995) Acute dermal irritation


screening study in rabbits with C16/C18 Alpha
Olefins, Isomerized. Conducted by Hill Top
Biolabs, Inc., Project No. 94-8345-21 (A), for
Chevron Research and Technology Company
(unpublished report).

626 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005

(3) Test Substance

Identity (purity): CAS No. 629-73-2, 1-Hexadecene

Method

Method/guideline:
Test type: Repeated irritation
GLP: No
Year: 1963
Species: Guinea pig
Strain: No data
Route of
Administration: Dermal

Duration of test: 20 days


Doses: 0.5 – 0.6 ml/day
Sex: Males and/or females
Exposure period: 7 days
Frequency
of treatment: 4 alternate days

Control group
and treatment: Untreated control group

Post exposure
observation period: 20 days following first treatment

Statistical methods: None

Test Conditions: On the first day of the experiment, the hair


from each side of 2 or 3 albino guinea pigs (300-
500 g) was clipped. The test article was applied
with a small atomizer to the left side of the
animal and the right side was left untreated.
Topical applications were made on days 1, 3, 5 and
7. The report did not indicate that the treated
sites were covered or cleaned between or after
applications. Subjective evaluations of skin
irritancy were made every other day for 20 days
following the first treatment. The skin
characteristics grossly evaluated, each on a scale
of 1-5, were: (1) erythema, (2) thickening, (3)
hyperkeratinization, (4) desquamation or scaling
and (5) formation of fissures and open lesions.
From the total ratings for the 5 characteristics
through the 20-day period, relative overall skin
ratings from 0-8 were given.

Results: Irritating

Remarks: 1-Hexadecene was severely irritating with a


maximum score of 8.

Reliability: (2) Reliable with restrictions: Not a guideline


study and not conducted under GLPs. Incomplete
reporting of details.

UNEP PUBLICATIONS 627


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005

References: Hoekstra, W.G., and P.H. Phillips (1963) Effects


of topically applied mineral oil fractions on the
skin of guinea pigs. J. Invest. Derm. 40(2):79-88.

C. Eye Irritation/Corrosion

(1) Test Substance: CAS No. 629-73-2, 1-Hexadecene (~93%)

pH: Not applicable

Method: equivalent to OECD 405

Test Type: in vivo


GLP: No
Year: 1967

Test Conditions

Species: Albino rabbits


Strain: Not specified
Cell type:
Sex: Males
Number of animals
per dose: 6

Dose(s) used: 0.1 ml


Vehicle: None
Observation period: 72 hrs
Scoring method used: Draize scoring at 24, 48, and 72 hours after
treatment

Remarks: A positive control group were exposed to 5% Ivory


Soap solution

Results: Draize score at 24 hours was 1.3/110; it was 0.3


at
48 hours and 0.0 at 72 hours. The mean 24-72
hr scores for corneal opacity, iritis, conjunctival
redness, and conjunctival chemosis, respectively,
were 0, 0, 0.3, and 0.

Reliability: (1) Reliable without restrictions

Reference: Rinehart, W.E. (1967) Toxicological Studies of


Several Alpha Olefins Conducted by Department
of Occupational Medicine, University of
Pittsburgh, Pittsburgh, Pennsylvania, for Gulf
Research and Development Company (unpublished
report).

(2) Test Substance: CAS No. 26952-14-7 (Hexadecene, 49%)and 27070-58-2


(Octadecene 49%) with 2% C32-36 olefins as
impurities; double bond occurs at all locations
along the carbon chain; 20-30% methyl branching

pH: Not applicable

628 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
Method: OECD 405 except that only 3 animals were used

Test Type: in vivo


GLP: Yes
Year: 1994

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Male and females
Number of animals
per dose: 1 male and 2 females

Dose(s) used: 0.1 ml


Vehicle: None
Observation period: 72 hrs
Scoring method used: Draize scoring at 1, 24, 48, and 72 hours
after treatment

Remarks: Young adult rabbits weighing 3.005 to 3.079 kg were


used. The undiluted test substance was applied to
one eye of each animal. The lids were gently held
together for approximately one second. The eyes
were rinsed after 24 hours. The eyes were examined
for ocular irritation at 1, 24, 48 and 72 hrs
following treatment. With the exception of the 1 hr
scoring, all eyes were scored again for corneal
opacity, intensity, and area using sodium
fluorescein. Each animal was also observed daily
for any physiological or behavioral abnormalities.

Results: Draize score at 24 hours was 2.0/110 for eyes


scored with and without sodium fluorescein. The
average of the 24-72 hr scores for each animal
were 0 for corneal opacity and iritis; 0.0, 0.33,
and 0.33 for conjunctival redness, and 0.0, 0.33,
and 0.0 for conjunctival chemosis.

Remarks: The test substance did not produce corneal opacity


or iritis but did produce conjunctival irritation
which was observed at the 1 and 24-hr readings.
All eyes were clear at the 48-hr reading. The
maximum total irritation score observed for
individual animals was 4.

Reliability: (1) Reliable without restrictions

Reference: Morris, T. (1995) Acute eye irritation screening


study in rabbits with C16/C18 Alpha Olefins,
Isomerized. Conducted by Hill Top Biolabs, Inc.,
Project No. 94-8346-21 (A), for Chevron Chemical
Company (unpublished report).

5.4 Skin Sensitisation

A. Test Substance: CAS No. 629-73-2, 1-Hexadecene (NEODENE 16 Alpha Olefin)

UNEP PUBLICATIONS 629


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
Method: Buehler
Test Type: challenge
GLP: Yes
Year: 1992

Test Conditions
Species: Guinea pig
Strain: Hartley albino
Sex: Male and female
Number of animals
per sex per dose: 4 each primary irritation, 10 each test group, 5 each
control group

Route of
administration: Topical

Induction conc.: 100%


Induction vehicle: None
Challenge conc.: 100%
Challenge vehicle: Acetone
Grading system used: Buehler

0=no reaction
+/--= slight, patchy erythema
1=slight but confluent, or moderate patchy erythema
2=moderate erythema
3=severe erythema with or without edema

Remarks: Buehler, 1965; Ritz and Buehler, 1980

Method remarks: A Test Group of 10 male and 10 female animals, weighing


330 to 526 grams, was dosed topically at 0.5 ml/site
under occlusion with test material once per week for
three weeks, a total of three induction exposures.
Doses were applied under 25-mm Hill Top Chambers®, with
adhesive backs removed, occluded with plastic wrap and
overwrapped with Elastoplast® tape. The period of
exposure was six hours, after which the bandages were
removed, and the sites wiped with disposable paper
towels moistened with tepid tap water. The test
material concentration used for induction and dosing
(10% and 2.5% in acetone, respectively) were selected
based on the irritation rangefinding phase.
Two weeks after the last induction exposure, a challenge
dose was given at the original site and a virgin site.
A Naive Control Group (which had never before been
exposed to the test material) of 5 males and 5 females
was dosed with the test material at this time. Reactions
to challenge dosing were evaluated at approximately 24
and 48 hours after completion of each exposure.

Positive when 15 % of animals show a reaction at 24


and/or 48 H.

Results: Negative for sensitization

Grades: All animals were +/--

630 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
Results Remarks: Number of animals with skin reaction at challenge:
0/10
Number of animals with skin reaction in control group at
challenge: 0/10.

Reliability: (1) Reliable without restrictions

Reference: Morris, T. (1992) Delayed contact hypersensitivity study


in guinea pigs (Buehler technique). Conducted by Hill
Top Biolabs, Inc., Project No. 91-8382-21 (B), for
Shell Oil Company (unpublished report).

Buehler, E.V. (1965) Delayed contact hypersensitivity in


the guinea pig, Archives of Dermatology 91:171-177.

Ritz, H.L. and E.V. Buehler (1980) Planning, conduct and


interpretation of guinea pig sensitization patch tests
in Current Concepts in Cutaneous Toxicity, ed. V. Drill
and P. Lazar. Academic Press, New York, N.Y. pp. 25-42.

B. Test Substance: CAS No. 26952-14-7 (Hexadecene, 49%) and 27070-58-2


(Octadecene
49%) with 2% C32-36 olefins as impurities; double bond
occurs at all locations along the carbon chain; 20-30%
methyl branching

Method: Buehler

Test Type: challenge


GLP: Yes
Year: 1994

Test Conditions

Species: Albino guinea pig


Strain: Hartley
Sex: Males and females
Number of animals
per sex per dose: 1st Pilot (4 doses) = 1, 2nd Pilot (4 doses) = 1,
Induction = 10, Challenge = 5, Rechallenge = 5

Route of
administration: Topical

Induction conc.: 5% for test substance


Induction vehicle: Mineral Oil Light U.S.P. for test substance, 95%
ethyl alcohol for positive control
Challenge conc.: 5% for test substance
Challenge vehicle: Mineral Oil Light U.S.P. for test substance,
acetone for positive control
Grading system used: 0 = no reaction, ± = slight, patchy erythema, 1 =
slight but confluent, or moderate patchy erythema,
2 = moderate erythema, 3 = severe erythema with or
without edema

Method remarks: At the start of the induction phase, the body weight
range of the test and primary challenge animals ranged
from 336-493 g; animals were the same age (± 5 days) and
were 6-11 weeks old. At the start of the rechallenge

UNEP PUBLICATIONS 631


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
phase, the body weights of the rechallenge animals
ranged from 426-599 g.

HISTORICAL POSITIVE CONTROL GROUP: 10 animals received


3 induction treatments with α-hexylcinnamaldehyde (HC)
(tech., 85%) at concentrations of 5% w/v in 95% ethanol.
Approx. 2 wks following induction, a primary challenge
treatment was conducted with the 10 test animals and 4
naïve control animals with HC at 5%, 2.5%, and 1.0% w/v
in acetone. 13 days following primary challenge
treatment, a rechallenge treatment was conducted with
the 10 test animals and 5 naïve control animals with HC
at 5% w/v in acetone.

PILOT (IRRITATION SCREENING): The irritation potential


of the test material at levels of undiluted, 50%, 25%,
10%, 5%, 2.5%, 1%, and 0.5% were evaluated. The position
of the different concentrations on the animals were
varied to adjust for possible site-to-site variation in
response. One day prior to exposure, hair was removed
from backs with clippers. 0.3 ml test preparation was
applied to a 25 mm Hill Top Chamber®. The animal was
placed into a restrainer, the chamber was applied to the
clipped surface, and the chamber was occluded with
rubber dental dam. Approximately 6 hr later, the chamber
and restrainer were removed.

INDUCTION: An undiluted concentration of C16/C18


Alpha Olefins, Isomerized in Mineral Oil, was chosen for
induction. The left shoulders of 20 animals were clipped
the day before exposure. The clipped areas were exposed
and animals restrained as described for the Pilot. The
procedure was repeated at the same site once a week for
2 wks. After the last induction exposure, the animals
were left untreated for 12 days.

PRIMARY CHALLENGE: Using the same procedure as in the


induction phase but at a different skin site, the test
animals (10 M, 9 F) were again exposed to the test
material (5% in Mineral Oil). In addition, 10 naïve
animals were treated with the test material.

RECHALLENGE: 7 days after primary challenge, test


animals (10 M, 9 F) were again exposed to the test
material (5% in Mineral Oil). In addition, 10 naïve
animals were treated with the test material.

OBSERVATIONS: On the day following irritation screening,


primary challenge, and rechallenge, animals were
depilated and, 2 hr later, scored. Scoring was repeated
the following day. No statistical analysis was
conducted.

Results: Animals treated with C16/C18 Alpha Olefin, Isomerized


were not sensitized

Grades: The incidence of grade 1 responses in the test group


(12/19) compared to that of the naïve control group
(4/10) suggested the possibility that sensitization
might have been induced. Following rechallenge, the

632 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
incidence of grade 1 responses in the test group (12/19)
compared to that of the naïve control group (8/10)
indicated that sensitization had not been induced.

Results Remarks: One female was found dead 3 days after first induction
application. Cause of death was not determined.

Reliability: (1) Reliable without restrictions

Reference: Morris, T. (1995) Delayed contact hypersensitivity study


in guinea pigs (Buehler technique). Conducted by Hill
Top Biolabs, Inc., Project No. 94-8414-21, for Chevron
Research and Technology Company (unpublished report).

C. Test Substance: C12-16 Alpha Olefin Fraction (GULFTENE 12-16)

Remarks Blend of linear 1-dodecene (CAS No. 112-41-4), 1-


tetradecene (CAS No. 1120-36-1), and 1-hexadecene (CAS
No. 629-73-2). Composition of the blend was undefined in
the report; analysis of other contemporary GULFTENE 12-
16 blends showed 65-80% C12, 16-25% C14, and 4-5% C16

Method: Landsteiner technique


Test Type: challenge
GLP: No
Year: 1967

Test Conditions
Species: Albino guinea pig
Strain:
Sex: Males
Number of animals
per sex per dose: 10

Route of
administration: Topical

Induction conc.: 100% for test substance


Induction vehicle: None for test substance, 50% ethyl alcohol for
positive control
Challenge conc.: 100% for test substance
Challenge vehicle: None for test substance, 50% ethyl alcohol for
positive control
Grading system used: Not specified

Method remarks: Three groups of ten male albino guinea pigs weighing
300-350 g each were used. A positive control group was
exposed to 0.5% chlorodinitrobenzene in 50% ethyl
alcohol in water. A second group was exposed to 50%
ethyl alcohol only. The other group received olefin
test article. Test sites on the backs of the animals
were clipped and light abrasions of the outer dermal
layer were made with a needle. 0.1 ml test article
was applied to the test sites from a dropper and rubbed
into the skin with a glass rod, three times weekly for
nine applications. Type of dressing was not specified.
Observations for erythema and edema were made 24 hours
after applications. After the ninth application,

UNEP PUBLICATIONS 633


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
animals were rested for two weeks. They were then
challenged with 0.1 ml of test article or 0.5%
chlorodinitrobenzene in 50% ethanol-water (the ethanol
control animals also received chlorodinitrobenzene).

Results: Animals treated with C12-16 Alpha Olefin Fraction were


not sensitized

Grades: See Remarks

Remarks: Only slight erythema was seen in one animal exposed to


the alpha olefin after the eighth application and in two
animals after the ninth application; no edema was seen.
Animals exposed to alcohol showed no reactions at any
time point. The positive control animals showed
moderate erythema in all animals after the third
application, and mild edema in half the animals after
the seventh application. During the 2-wk rest interval,
signs of erythema and edema disappeared from all
animals.

Twenty-four hours after the challenge, alpha olefin


treated animals showed no response. The positive
control group showed severe erythema in all animals. The
animals pre-treated with alcohol given
chlorodinitrobenzene as a challenge for comparison with
the positive control group showed only a very slight
erythema in 2 animals.

Reliability: (1) Reliable without restrictions

Reference: Rinehart, W.E. (1967) Toxicological Studies of Several


Alpha Olefins Conducted by Department of Occupational
Medicine, University of Pittsburgh, Pittsburgh,
Pennsylvania, for Gulf Research and Development Company
(unpublished report).

5.5 Repeated Dose Toxicity

A. Test Substance

Identity (purity): C16/18 isomerised olefin


Remarks: C14-0.4%, C16-53.6%, C18-37.6%, C20-7.9%, C22-0.5%.
Linear terminal 1.8%, linear internal 71.9%, Branched
terminal 15.6% Trisubstituted 10.7%.

Method

Method/guideline: OECD 407


Test type: subacute toxicity
GLP: Yes
Year: 2000
Species: Rat
Strain: Sprague Dawley (crl:CD BR)
Route of
Administration: Oral gavage

Duration of test: 4 weeks

634 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
Doses: 0, 25, 150, or 1000 mg/kg/day
Sex: Males and females
Exposure period: 4 weeks
Frequency
of treatment: Once daily, 7 days/week

Control group
and treatment: Concurrent vehicle control (corn
oil)

Post exposure
observation period: None

Statistical methods: Analysis of variance (Snedecor and Cochran, 1980)


Kruskal-Wallis non-parametric analysis (Hollander and
Wolfe, 1973) Fisher’s Exact Probability test (Siegel
1956)

Test Conditions: Groups of ten rats (5M:5F) were dosed orally by gavage
once daily over a period of 28 days. Animals were
approximately 41 days old on the first day of dosing.
Animals were regularly monitored for any signs of ill
health or reaction to treatment. Detailed functional
observations were performed weekly, with additional
functional observations performed during pretrial and
week four. Animals were weighed daily to determine dose.
Body weights and food consumption were recorded twice
weekly. Blood and urine samples were collected during
week four of the study. After four weeks of treatment,
animals were sacrificed and subjected to necropsy. A
comprehensive list of organs were weighed and /or
preserved (adrenal, brain, epididymis, eye,
gastrointestinal tract including stomach, duodenum,
jejunum, ileum, caecum, colon, rectum, heart, kidney,
liver, lung, bone marrow, mesenteric lymph node, ovary,
pituitary, prostate, sciatic nerve, spinal cord, spleen,
submandibular lymph node, testis, thymus, thyroid with
parathyroid, trachea, urinary bladder, uterus). Tissues
from the controls and high dose animals were subjected
to histological examination. Histology was also
performed on the male kidneys from the lower doses.

Results

NOAEL (NOEL): NOAEL = 1000 mg/kg/day

Actual dose received


by dose level by
sex if known: Actual doses for both sexes were 0, 25, 150, or
1000 mg/kg/day.

Remarks: There was little evidence of toxicity noted in animals


treated at levels up to 1000 mg/kg/day. A slight
increase in male body weight was noted at 1000 mg/kg but
the increase did not achieve statistical significance.
Statistically significant, but equivocal changes in
urinary volume (higher than controls) and kidney weight
(lower than controls) were considered unlikely to be
treatment related in the absence of any macro- or

UNEP PUBLICATIONS 635


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
microscopic changes. There were no treatment related
findings associated with treatment at 25 or 150
mg/kg/day.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint.

References: Clubb, S. (2000) AmoDrill 1000 4-Week Toxicity Study


Including Neurotoxicity Screening in Rats with
Administration by Gavage. Inveresk Project Number
454729. Inveresk Report Number 17561. Inveresk Research
Tranent EH33 2NE Scotland. Sponsor Amoco Corporation
(unpublished report).

B. Test Substance

Identity (purity): CAS No. 1120-36-1, 1-Tetradecene

Remarks: Blend of three suppliers’ 1-tetradecene, 99% purity

Method

Method/guideline: OECD 422


Test type: Combined repeated dose toxicity study
with reproduction/developmental toxicity
screening test
GLP: Yes
Year: 1995
Species: Rat
Strain: Sprague-Dawley
Route of
Administration: Oral gavage

Duration of test: Up to 51 days; see Remarks


Doses: 0, 100, 500, or 1000 mg/kg b.w./day
Sex: Males and females
Exposure period: Up to 51 days, see Remarks
Frequency
of treatment: Once daily

Control group
and treatment: Concurrent vehicle control (corn oil)

Post exposure
observation period: None

Statistical methods: Continuous data, including body


weights, body weight gain, food consumption, clinical
pathology data, organ weights, forelimb and hindlimb
grip strength, landing footsplay and motor activity were
analyzed by One-Way Analysis of Variance. If
significance was detected, group by group comparisons
were performed using Dunnett’s test. All analyses
utilized two-tailed tests for a minimum significance of
5% comparing the control group to the treated groups.

Test Conditions: This study was conducted to provide screening


information on the potential for systemic, reproductive,
developmental and neurotoxicity of 1-tetradecene when

636 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
given orally, by gavage, to parental male and female
Sprague Dawley rats. At study initiation, the males
were 6 wks of age and weighed 159-220 g; the females
were 8 wks of age and weighed 184-242 g (satellite) and
158-215 g (breeding). The study consisted of one control
group and three treatment groups with 12 males and 20
females in each group. F0 males were treated for 28 days
prior to mating, during mating and until the day prior
to euthanasia (43-47 days). The twelve F0 females were
dosed 14 days prior to mating and during mating,
gestation and lactation until the day prior to
euthanasia (42-51 days). The eight remaining females
per group were a satellite group for evaluation of
neurotoxicity, clinical pathology and histopathology
parallel to the breeding males, but were not bred.

Doses were selected based on the results of a 14-day


rangefinding study. Doses used in the study were 0
mg/kg/day (corn oil vehicle only), 100 mg/kg/day, 500
mg/kg/day, and 1000 mg/kg/day, administered in a volume
of 5 ml/kg. Animals were observed daily for signs of
toxicity. Male and satellite female body weights were
measured weekly throughout the study. Breeding female
body weights were also measured weekly, prior to mating.
When positive evidence of mating was detected for these
females, body weights were measured on gestation days 0,
7, 14, and 20 and lactation days 1 and 4. Body weights
for mated females with no evidence of copulation were
measured weekly until euthanasia. Food consumption was
measured on the same days as the body weights, except
during the cohabitation period. Breeding females were
allowed to deliver and raise offspring until lactation
day 4. All F0 males and females were subjected to gross
necropsy when euthanized. Selected F0 males and all
satellite females were evaluated for motor activity,
clinical pathology, and functional observational battery
before euthanasia. The liver, kidneys, testes/ovaries,
adrenal glands, thymus, spleen, brain and heart of each
animal were weighed. Specified tissues were retained and
preserved on selected males and all females.
Microscopic examination was conducted on gross lesions
from all animals, on selected tissues (accessory genital
organs, adrenals, aorta, brain, cecum, colon, duodenum,
esophagus, exorbital lachrymal glands, eyes with optic
nerve, femur, heart, ileum, jejunum, kidneys, liver,
lungs, mammary gland, mesenteric lymph node, pancreas,
peripheral nerve, pituitary, rectum, skeletal muscle,
skin, spinal cord, spleen, sternum with bone marrow,
stomach, submaxillary salivary gland, testes or ovaries,
thymus, thyroid, parathyroid, tongue, trachea, and
urinary bladder) from five randomly selected males and
satellite females from the control and high dose groups;
the lungs, liver, kidneys, and reproductive organs
[female only] from an additional 3 males and 3 satellite
females from the control and high dose groups and from 8
males and 8 satellite females from the 100 mg/kg/day and
500 mg/kg/day groups).

UNEP PUBLICATIONS 637


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
Results

NOAEL (NOEL): NOEL = 100 mg/kg/day (systemic) for females (liver effects);
none for males due to kidney effects
NOEL = 1000 mg/kg/day (neurotoxicity)
LOAEL = 500 mg/kg/day for females and 100 mg/kg/day for males

Actual dose received


by dose level by
sex if known: As administered. Analysis of dosing mixtures confirmed
that mixtures were accurately prepared.

Remarks: Minor clinical signs (salivation and urine staining)


were noted in satellite females and F0 parent animals.

Dose-related hydrocarbon nephropathy was noted in


kidneys of male rats in all groups. The changes
consisted of an increased incidence of large, angular or
rhomboid eosinophilic hyaline droplets in the proximal
convoluted tubules of the kidneys.

0 mg/kg/day 100 500 1000


mg/kg/day mg/kg/day mg/kg/day
Hyaline 0 1 2 1
droplets –
minimal
Hyaline 0 1 1 0
droplets –
mild
Hyaline 1 2 0 3
droplets -
moderate

Male and female rat livers showed minimal-to-mild


hepatocyte cytoplasmic vacuolation in the 500 (3/8 males
and 5/8 females) and 1000 mg/kg/day (4/8 males and 4/8
females) groups.

This was associated with increases in liver weights (see


values below for doses of 0, 100, 500, and 1000
mg/kg/day; * = statistically significant [p<0.05]; ** =
statistically significant [p<0.01]):
− Absolute liver weight, male (g, mean+SD):
15.70+2.16, 16.98+2.04, 18.44+2.02*,
18.29+0.76*
− Absolute liver weight, female (g, mean+SD):
9.93+0.91, 10.76+1.21, 11.83+1.31*,
12.90+1.49**
− Organ weight/brain weight ratio (g/100g; mean+SD),
male: 697.6 +70.0, 746.0+71.4, 800.9+82.5*,
788.9+57.0*
− Organ weight/brain weight ratio (g/100g; mean+SD),
female: 474.2+51.1, 504.5+55.4, 542.5+60.9,
596.2+73.9**

There were no test article-related differences in the


functional observational battery and motor activity
tests that would indicate neurotoxicity. The NOEL for

638 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
neurotoxicity was 1000 mg/kg/day in males and females.
For systemic effects, the NOEL was 100 mg/kg/day in the
satellite females. Since hydrocarbon nephropathy was
seen in all male dose groups, there was not a NOEL for
male rats for systemic toxicity. However, male rat
hydrocarbon nephropathy is unique to the male rat, and
does not suggest an adverse effect for human risk
assessment.

(See sections 5.9 A and B for Reproductive and


Developmental results)

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint.

References: Daniel, E.M. (1995) Combined Repeated Dose Toxicity


Study/Reproduction/Developmental Toxicity Screening Test
in Rats with 1-Tetradecene. Conducted by Springborn
Laboratories, Inc., Spencerville, Ohio, Study No. 3325.2
for the Chemical Manufacturers Association, Alpha
Olefins Panel.

Other: This study was included in the dossier for 1-tetradecene


at SIAM 11.

C. Test Substance

Identity (purity):C12-16 Alpha Olefin Fraction (GULFTENE 12-16)

Remarks: Blend of linear 1-dodecene (CAS No. 112-41-4), 1-


tetradecene (CAS No. 1120-36-1), and 1-hexadecene (CAS
No. 629-73-2). Composition of the blend was undefined in
the report; analysis of other contemporary GULFTENE 12-
16 blends showed 65-80% C12, 16-25% C14, and 4-5% C16

Method

Method/guideline:
Test type: Subacute toxicity
GLP: Yes
Year: 1983
Species: Rat
Strain: Fischer 344
Route of
Administration: Dermal

Duration of test: 2 weeks


Doses: 0, 1.0, and 2.0 g/kg/day
Sex: Males and females
Exposure period: 2 weeks
Frequency
of treatment: Once daily for 9 doses over 2-wk period

Control group
and treatment: Concurrent vehicle control (5 M, 5 F, corn oil)

Post exposure
observation period: None

UNEP PUBLICATIONS 639


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005

Statistical methods: Organ weights: Bartlett’s test and one-way


analysis of variance; if the Bartlett’s test indicated
the data were homogeneous, Dunnett’s test was also
performed; if the Bartlett’s test indicated the data
were non-homogeneous, a modified t-test was performed.
Histopath: Kolmogorov-Smirnov Two-Tail Test (0.05 level
of significance)

Test Conditions:
Animals were approximately 7 weeks of age and weighing
90-120 g at study initiation. Prior to treatment, the
backs of all animals were clipped free of hair. To
prevent ingestion of the test substance, each animal was
fitted with an Elizabethan collar. The collar remained
on the animals until removal of residual test/control
substance. Dermal doses of 2.0 g/kg (undiluted) or 1.0
g/kg (diluted 1:1 with corn oil prepared weekly) of
GULFTENE 12-16 were administered to groups of 5 males
and 5 female Fischer 344 rats, in 9 daily doses over a
2-wk period. An equivalent volume of the vehicle was
administered to the control group. The treated area was
approximately 10% of the body surface. Approximately 6
hrs following each application, residual test substance
was wiped from the application site. Parameters
evaluated for treatment-related effects included
survival; body weight (weekly); food consumption
(weekly); appearance and behavior (at least once daily
on dosing days); dermal reaction (according to the
method of Draize on each dosing day prior to dosing and
after removal of residual material); hematology (blood
samples collected via orbital sinus) and clinical
chemistry (collected prior to treatment and necropsy);
organ weights, organ weight ratios relative to body and
brain weights (liver, brain, spleen, heart, kidney,
testes); gross pathology, and microscopic pathology
(control and high-dose animals only: lungs, skin, liver,
brain, spleen, heart, kidney, testes, ovaries). All
animals were sacrificed approximately 24 hrs after the
ninth treatment by inhalation of methoxyflurane.

Results

NOAEL (NOEL): 1g/kg/day (systemic) [By summary author – study authors


did not declare a NOAEL]

Remarks: All animals survived to the end of the study and no


moribund animals were observed during the study.

Repeated application of undiluted GULFTENE 12-16 at 2.0


g/kg produced severe erythema (beet redness) to slight
eschar formation (injuries in depth) and slight edema
(edges of area well defined by definite raising) in all
animals. Dermal reactions increased in severity with the
number of applications. In all animals, slight to
moderate desquamation was detected after the second
treatment and persisted until the end of treatment.
Slight to moderate hair loss was detected in 8/10
animals after the eighth treatment. Fissuring was also
noted in 4 female animals after 6 treatments.

640 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
When GULFTENE 12-16 was administered at a 1.0 g/kg
level, 2 males exhibited very slight erythema (barely
perceptible) after 6 treatments and a third male after
seven treatments. In one of the 3, the intensity of the
erythema increased to slight and a pinpoint spot of
eschar was observed after the seventh treatment. All
reactions persisted throughout the study period. No
edema or other reactions were noted.

In comparison to controls, depressed body weight gains


were observed in the 2.0 g/kg group but not in the 1.0
g/kg group. In the 2.0 g/kg group, means for males and
females increased by 25.6 g and 22.8 g, respectively,
while means for control males and females increased by
52.3 g and 28.8 g, respectively, over the study period.

In the 2.0 g/kg group, the decreases in bodyweight were


associated with decreases in the absolute weights of
most organ systems (mean, treated vs control):

− liver: males = 6.35 g vs 7.99 g [p = 0.01]


− brain: females = 1.56 g vs 1.60 g [p = 0.05]
− spleen: males = 0.39 g vs 0.43 g [p = 0.05]
− heart: males = 0.55 g vs 0.65 g [p = 0.01]
− kidney, left: males = 0.59 g vs 0.64 g [p =
0.05]
− kidney, right: not sig. different from control
− testes: not sig. diff. from control

In the 2.0 g/kg group, the changes in body and organ


weights resulted in statistically significant
differences in the relative weight ratios for several
organs (mean ratio in treated vs control):

− brain: males = 1.24 vs 1.04 [p = 0.01]


− spleen: males = 0.29 vs 0.27 [p = 0.01] and
females = 0.32 vs 0.29 [p = 0.01]
− kidney, left: males = 0.45 vs 0.40 [p = 0.01] and
females = 0.47 vs 0.42
− kidney, right: males = 0.45 vs 0.39 [p = 0.01] and
females = 0.47 vs 0.43 [p =0.05]
− testes: not sig. diff. from control

In the 2.0 g/kg group, the changes in body and organ


weights resulted in statistically significant
differences in the organ/brain weight ratios (mean ratio
in treated vs control):

− liver: males = 3.97 vs 4.78 [p = 0.05]


− heart: males = 0.33 vs 0.39 [p = 0.05]
− kidney, left: males = 0.36 vs 0.38 [p = 0.05]

No treatment related effects were noted for food


consumption, clinical signs (other than dermal
reactions), hematology, and clinical chemistry.
Treatment was associated with histological changes in
the skin at the point of application in all animals.
There were no other microscopic changes seen that could
be associated with the test substance.

UNEP PUBLICATIONS 641


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005

Study authors concluded that, under conditions of the


study, repeated dermal applications of GULFTENE 12-16 at
2.0 g/kg, but not at 1.0 g/kg, caused severe skin
reactions and depressed body weight gains.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint.

References: Gulf Life Sciences Center (1983) Two-Week Repeated Dose


Toxicity Study in Rats Using GULFTENE 12-16, Project No.
82-059. Conducted for Gulf Oil Chemicals Company
(unpublished report).

5.6 Genetic Toxicity in vitro

A. Gene Mutation

(1) Test Substance

Identity (purity): CAS# 629-73-2, 1-hexadecene (Alpha-olefin


fraction C16, min. 90.6%; vinylidenes, max.. 7.5%;
internal olefins, max. 2%; paraffins, max.1.5%)

Method

Method/guideline: Maron, Ames Assay, according to OECD Guideline 471


Type: in-vitro bacterial reverse mutation – Ames Assay
System of testing: bacterial
GLP: No
Year: 1990
Species/Strain: Salmonella typhimurium TA97A, TA98, TA100
Metabolic activation: With and without S9 fraction (20 ul/plate)
of livers from rats induced with Delor 105 (a mix
of chlorinated hydrocarbons)
Concentrations tested: 0, 10, 20, 50, 100, and 200 µl/plate
Statistical Methods: The two-fold increase modified rule was used
for evaluation of results. To be declared
positive, the results must have shown a two-fold
increase in revertants, compared to control, and a
dose response.

Test Conditions: Undiluted test material was added directly to


Petri dishes at the following doses: 0, 10, 20,
50, 100, and 200 µl per dish. For better
emulsification, 50 µl of Tween 80 was added to
each agar dish. The genotype of the test strains
was verified (uvr B mutation, rfa mutation,
presence of plasmid pKM 101). Negative and
positive control experiments were included. In
negative controls, the top-agar with Tween 80 was
used. Strain specific positive controls were used:
nitro-o-phenylenediamine (for TA97 and TA98),
sodium azide (TA 100) and 2-aminofluorene (for
metabolic activation experiments with all three
strains). A confirmatory assay was performed.

642 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
Three plates were used per dose level. Protocol
deviation: only 3 of the 4 strains recommended by
OECD 471 were used.

Results

Cytotoxic conc.: No data


Genotoxic effects: Negative with and without metabolic
activation

Remarks: The test material did not produce any evidence of


mutagenicity in any strain.

Reliability: (2) Reliable with restrictions; TA 1535 was not


tested.

Flag: Key study for SIDS endpoint.

References: Research Institute of Organic Synthesis a.s (1990)


Pardubice, Czech Republic, Report No. T2129
(unpublished report).

(2) Test Substance

Identity (purity): C12-16 Alpha Olefin Fraction (GULFTENE 12-16)

Remarks Blend of linear 1-dodecene (CAS No. 112-41-4), 1-


tetradecene (CAS No. 1120-36-1), and 1-hexadecene
(CAS No. 629-73-2). Composition of the blend was
undefined in the report; analysis of other
contemporary GULFTENE 12-16 blends showed 65-80%
C12, 16-25% C14, and 4-5% C16

Method

Method/guideline: Equivalent to OECD 476 except that a confirmatory


assay was not conducted
Type: Mammalian cell HGPRTgene mutation assay
System of testing:non-bacterial
GLP: Yes
Year: 1982
Species/Strain: Chinese Hamster Ovary Cell (CHO-K1) received from
Dr. J.P. O’Neill, Oak Ridge National Laboratories,
Oak Ridge, Tennessee.
Metabolic activation: With and without S9 fraction of livers from
rats pretreated with Aroclor 1254; protein
concentration = 10 mg/ml; 0.3 ml S9/flask
Concentrations tested: 128, 512, 1024, and 2048 ug/mL; Doses were
based on a pre-test for toxicity
Statistical Methods: The mean and SD of the colony counts from
cultures derived from each flask were computed by
standard methods. Relative Survival: mean colony
count in treated cultures ÷ by mean count in
control cultures. Cloning Efficiency: mean colony
count in each group ÷ by number of cells seeded
per plate. Frequency of Mutant Colonies: ratio
of total colony counts in the mutagenicity plates
over total colony counts in the viability plates;
group mean calculated. The frequency of mutant

UNEP PUBLICATIONS 643


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
colonies per million clonable cells in the treated
and vehicle control cultures were compared using
Student’s t test. A test was considered positive
if there was a significant increase in mutant
colonies at any dose level and a dose-related
response.

Test Conditions: The test substance was emulsified with 10% F68
Pluronic® Polyol in water and subsequently diluted
with medium to a dosing preparation of 6% F68.
Water was the vehicle for the direct acting
positive control (ethylmethanesulfonate, 100 µg/ml
in culture flask). DMSO was the vehicle for
positive control cultures requiring metabolic
activation (benzo(a)pyrene, 4 µg/ml in culture
flask).

Cells were maintained in 5 ml Ham’s F12 Medium (no


hypoxanthine) with 5% dialyzed heat-inactivated
newborn calf serum. During treatment the serum was
omitted, HEPES buffer and antibiotic were included
and the volume limited to 3 ml/flask. Where
indicated, activating enzymes were included. After
treatment, cultures were maintained in Ham’s F12
(no hypoxanthine) with 5% dialyzed heat-
inactivated newborn calf serum and antibiotics.
For selection of mutant cells, 10-5 M 6-thioguanine
was included. Incubation was in a CO2 enriched
(5%) humidified (95%) atmosphere at 37.5°C except
that during exposure the sealed cultures were
placed in a shaker incubator at 37°C.

RANGEFINDING: Approx. 5 x 105 cells seeded to


each of 2 flasks/treatment (1 w/S9; 1 w/o S9);
exposed to test substance at 4 – 2,048 µg/ml for 5
hrs on Day 2; on Day 3 tripsinized and counted
with a Coulter Model ZB cell counter and
subcultured (200 cells transferred to each of 3
60 mm culture dishes); incubated to Day 10/11;
fixed in methanol and stained with Giemsa;
colonies counted visually or with Artek Model 981
counter.

MUTAGENICITY: Each dose group was composed of 6


flasks, 3 w/S9, except that the vehicle group
contained 12 flasks, 6 w/S9. The concentrations of
test substance were 4, 16, 128, 512, 1024, and
2048 µg/ml. Control cultures received F68, medium,
S9 mix or F68 with positive control. Sufficient
cells were seeded to give approx. 1 million cells
on Day 2 and exposed to test substance for 5 hrs
on Day 2; on Day 3 all cultures were checked for
evidence of cytotoxicity, and those showing
excessive toxicity terminated. VIABILITY: 4 dose
levels were subcultured (200 cells were
transferred to each of 4 60 mm viability plates)
and incubated to Day 10/11, fixed in methanol and
stained with Giemsa, and colonies counted visually
or with Artek Model 981 counter. MUTAGENICITY:
105-106 cells seeded to 100 mm dish on Day 3 for
expression; subcultured 3 times, the last on Day

644 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
10/11; 200 cells seeded to each of 4 viability
plates as above, and 2 x 105 cells seeded to each
of 5 mutagenicity plates in selective medium;
cultures incubated undisturbed until Day 16/18,
when they were fixed and stained.

Results

Cytotoxic conc.: ≥ 1024 µg/ml


Genotoxic effects: Negative with and without metabolic
activation

Remarks: RANGEFINDING: Some toxicity was evident at 2048


µg/mL without activation [cell count after
treatment (x 105/ml) = 6.6, 6.6, 6.1, 6.4, 6.2,
5.8, 2.8 for concentrations of GULFTENE 12-16 of
0 (vehicle), 64, 128, 256, 512, 1024, and 2048
µg/ml, respectively]; and with activation [cell
count after treatment (x 105/ml) = 4.1, 4.0, 2.9,
3.4, 3.4, 3.5, 2.9, 2.0 for concentrations of
GULFTENE 12-16 of 0 (vehicle), 32, 64, 128, 256,
512, 1024, and 2048 µg/ml, respectively]. Toxicity
was within acceptable limits.

DEFINITIVE TEST: A toxic effect was noted in that


there were insufficient cells after treatment to
subculture at 1 X 106 per dish at the 1024 and
2048 levels without activation and that cultures
with activation also showed immediate toxicity at
those levels [cell counts after treatment (x
105/ml) = 5.1, 5.1, 4.4, 2.8, and 2.1 at
concentrations of 0 (vehicle), 128, 512, 1024, and
2048 µg/ml, respectively]. Colony counts after
subculture showed that cells which were used to
determine the mutagenic effect were able to grow
and had recovered from the initial toxic effect.
Cloning Efficiency after treatment = 64% and 56%
at 2048 µg/ml (w/o and w/S9, respectively).
Relative Survival after treatment = 83% and 68% at
2048 µg/ml (w/o and w/S9, respectively). Cloning
Efficiency after expression = 82% and 86% at 2048
µg/ml (w/o and w/S9, respectively). Relative
Survival after expression = 97% and 100% at 2048
µg/ml (w/o and w/S9, respectively). The
frequency of mutant colonies was increased to
expected values in the two positive control groups
indicating the assay was functional. There were
no increases over control in frequency of mutant
colonies when cultures were treated with test
article.

Reliability: (2) Reliable with restrictions: Confirmatory assay


was not conducted

References: Gulf Life Sciences Center, Pittsburgh,


Pennsylvania (1983) CHO/HGPRT Test: GULFTENE 12-
16, Project 82-102. Conducted for Gulf Oil
Chemicals Company (unpublished study).

UNEP PUBLICATIONS 645


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
Other: This study was included in the dossier for
1-tetradecene at SIAM 11. Additional information
has been added.

B. Chromosomal Aberration

No data available.

C. Other Genetic Effects

(1) Test Substance

Identity (purity): C12-16 Alpha Olefin Fraction (GULFTENE 12-16)

Remarks Blend of linear 1-dodecene (CAS No. 112-41-4), 1-


tetradecene (CAS No. 1120-36-1), and 1-hexadecene
(CAS No. 629-73-2). Composition of the blend was
undefined in the report; analysis of other
contemporary GULFTENE 12-16 blends showed 65-80%
C12, 16-25% C14, and 4-5% C16

Method

Method/guideline: OECD 482 except that independent repeat was not


conducted
Type: In-vitro unscheduled DNA synthesis
System of testing: Non-bacterial
GLP: Yes
Year: 1984
Cell line: Primary rat hepatocytes
Metabolic activation: None
Concentrations tested: Rangefinding experiment: 8, 16, 32, 64, 128,
256, 512, 1024, 2048 and 5000 ug/ml
UDS experiment: 100, 1000, 2000 and 4000 ug/ml
Statistical Methods: The test substance was considered positive
for unscheduled DNA synthesis (UDS) when the mean
net nuclear grain count at any treatment level
exceeded that of the concurrent negative control
by at least 6 grains per nucleus, and the value
for the negative control did not exceed 5. A dose
response was not needed.

Test Conditions: Primary cultures of hepatocytes from livers of


freshly perfused F344 rats were exposed to the
test substance in the presence of 3H-thymidine.
Cytotoxicity was evaluated in a separate assay and
used as a basis for dosage selection. The
occurrence of UDS was visualized
autoradiographically and quantified with the aid
of microscopy.

A 10% solution of Pluronic® F68 Polyol in water


was used to emulsify the test substance. This was
diluted with medium so that the concentration of
F68 in the dosing preparations was 3.5% . Dosing
preparations were added to the cultures in
aliquots of 30 or 50 ul. This produced a culture
concentration of 0.035% F68. The positive control
was 2-acetylaminofluorene (2-AAF) prepared using

646 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
DMSO and Pluronic F68 Polyol and administered at
0.2 ug/ml 2-AAF in the final culture.

The cells were grown in 3 ml (UDS) or 5 ml


(rangefinding) Williams Medium E supplemented with
10% fetal bovine serum and insulin. Antibiotics
were included. During the exposure period, 0.1M
HEPES buffer, 2% by volume, and 0.1N HCL, 1% by
volume, were present in the medium. The cells were
cultured in plastic vessels. Incubation was in a
carbon dioxide-enriched (5%), humidified
atmosphere at 37°C. During the exposure period,
cultures were sealed.

RANGEFINDING EXPERIMENT: In the rangefinding


experiment, hepatocytes were harvested from one
male rat aged 11 weeks and weighing 250 g. Two
cultures each were prepared for the negative
control, vehicle control and 10 levels of test
substance. Approximately 1 x 105 cells/ml were
seeded into each treatment culture and exposed to
the test substance for 18 hours. The cells were
then stained with trypan blue, fixed with
formalin, and counted for viability
determination. The culture vessel was taken as
the experimental unit. The average number of
viable cells per treatment group was determined.
The relative viability was then calculated as the
average number of viable cells in substance-
treated cultures divided by that in the vehicle
control cultures. For the evaluation of toxicity,
at least 50% viability was desired. The final
choice of treatment levels was based on the
expectation that at least one level showed
toxicity.

UDS EXPERIMENT: In the UDS experiment,


hepatocytes were harvested from 1 male rat aged 13
weeks and weighing 270 g. Three cultures each
were prepared for the negative control, vehicle
control, positive control, and 4 levels of test
substance. Approximately 1 x 105 cells/ml were
seeded into each treatment culture and exposed to
3
H-thymidine and test substance for 18 hours.
Cells growing on coverslips were rinsed, exposed
to hypotonic solution, fixed, air dried and glued
to microscope slides on Day 2. On Day 3, the
slides were dipped in autoradiographic emulsion
and stored in the dark at 2-8°C. Autoradiographs
were developed, stained and coversliped on Day 13.
The number of grains overlying each of 50 randomly
selected nuclei per slide was counted
microscopically. The highest of 3 cytoplasmic
grain counts per cell was subtracted to obtain the
net nuclear grain count. The individual slide was
taken as the experimental unit. The average net
nuclear grain count per slide (sum of net nuclear
grain counts divided by 50) was calculated and the
mean net nuclear grain count (average net nuclear
grain count per slide divided by 3) was determined
for each treatment level.

UNEP PUBLICATIONS 647


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005

Results

Cytotoxic conc.: 256 µg/ml

Genotoxic effects: Negative

Remarks: In the rangefinding experiment, GULFTENE 12-16


was toxic to primary hepatocytes beginning at 256
µg/ml where 74% relative viability was observed
following an 18-hr exposure period. Cytotoxicity
increased only slightly with increasing dose to
2048 µg/ml and then increased sharply at the
highest dose tested, 5000 µg/ml, where a relative
viability of 45.1% was observed. In the UDS
experiment, both positive and negative controls
gave the expected responses. No treatment level
elicited a positive response for UDS.

Reliability: (2) Reliable with restrictions: Confirmatory assay


not conducted

References: Gulf Life Sciences (1984) Hepatocyte Primary


Culture/DNA Repair Test of GULFTENE12-16, project
#2069 (unpublished report).

Other: This study was included in the dossier for


1-tetradecene at SIAM 11. Additional information
has been added.

(2) Test Substance

Identity (purity): C12-16 Alpha Olefin Fraction (GULFTENE 12-16)

Remarks Blend of linear 1-dodecene (CAS No. 112-41-4), 1-


tetradecene (CAS No. 1120-36-1), and 1-hexadecene
(CAS No. 629-73-2). Composition of the blend was
undefined in the report; analysis of other
contemporary GULFTENE 12-16 blends showed 65-80%
C12, 16-25% C14, and 4-5% C16
Method

Method/guideline: Equivalent to US EPA TSCA 40 CFR 795.285 and ECC


B21, except that a confirmatory assay was not
conducted
Type: BALB/3T3 Transformation Test
System of testing: Non-bacterial
GLP: No
Year: 1983
Cell line: Mouse embryo cells, BALB/3T3-A31-1-1
Metabolic activation: None
Concentrations tested: Rangefinding experiment: 8, 16, 32, 64, 128,
256, 512, 1024, 2048 and 5000 µg/ml
Transformation experiment: 10, 20, 30 and 1500
µg/ml
Statistical Methods: A test was considered positive if there
were: 1) a two-fold increase in Type-III foci at
the highest dose over that seen in vehicle control
cultures, with or without a dose-related response
or 2) a two-fold increase at two or more

648 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
consecutive dose levels. Where vehicle control
cultures have no Type-III foci, at least 2 foci
would be needed for a dose level to be considered
positive.

Test Conditions: Cytotoxicity was evaluated in a separate assay and


used as a basis for dosage selection.

A 10% solution of Pluronic® F68 Polyol in water


was used to emulsify the test substance. This was
diluted with medium so that the concentration of
F68 in the dosing preparations was 3.5%. Dosing
preparations were added to the cultures in
aliquots of 50 µl. This produced a culture
concentration of 0.035% F68. The positive control
was 3-methylcholanthrene (3-MC) prepared using
DMSO and Pluronic® F68 Polyol and administered at
1 µg/ml 3-MC in the final culture.

The cells were received from Dr. Takeo Kakunaga,


National Cancer Institute, at Passage 14 after
origination of the subclone. The cells were
subcultured once, tested for presence of
adventitious infectious agents and for capability
to respond to known transforming agents, and
frozen. Cultures used in testing were less than 4
additional passages from frozen stock. The cells
were grown in 5 ml Eagle’s Minimum Essential
Medium supplemented with 10% heat-inactivated
fetal calf serum. Antibiotics were included.
Incubation was in a carbon dioxide-enriched (5%),
humidified atmosphere at 37°C.

RANGEFINDING EXPERIMENT: Each treatment group


(medium, vehicle, and 10 levels of test substance)
consisted of two cultures. Approximately 1 x 104
cells were seeded into each treatment flask on Day
1. The cultures were exposed to the test substance
for 2 days, beginning on Day 2, then trypsinized
and counted on Day 4 with a Coulter Model ZB cell
counter. The culture vessel was taken as the
experimental unit. The average number of surviving
cells per treatment group was determined. The
relative survival was then calculated as the
average number of surviving cells in substance-
treated cultures divided by that in the vehicle
control cultures. For the evaluation of toxicity,
at least 20% survival was desired. The final
choice of treatment levels was based on the
expectation that at least one level showed
toxicity.

TRANSFORMATION EXPERIMENT: Each group (medium


control, vehicle control, positive control, and 4
levels of test substance) consisted of 15 flask
cultures for transformation and 2 flask cultures
for cloning. Transformation flasks were seeded
with approximately 1 x 104 cells and cloning
flasks with approximately 100 cells on Day 1. The
cells were exposed to test substance for 2 days
beginning on Day 2. The medium was changed on all

UNEP PUBLICATIONS 649


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
cultures on Day 4. Cloning cultures were fixed and
stained for colony counting on Day 8. Colonies (at
least 50 cells) were counted visually and, where
required, examined microscopically. The medium was
changed weekly on all transformation flask
cultures. Fixation and staining of flask cultures
for focus counting and evaluation were on day 29.
Foci were counted visually and examined
microscopically to determine type.

The cloning efficiency was determined by dividing


the average number of colonies (at least 50 cells)
per flask by the number of cells seeded and
converting to a percent. The relative cloning
efficiency was determined by dividing the cloning
efficiency for each treatment group by the cloning
efficiency for the vehicle control, and converting
to a percent. The transformation frequency for
each group was the total number of Type III foci
divided by the total number of flasks per group.

Results:

Cytotoxic conc.: Concentrations of >20 µg/ml were cytotoxic


Genotoxic effects: Negative

Remarks: In the rangefinding experiment, GULFTENE 12-16 was


toxic to BALB/3T3 cells at 32 ug/ml when 16%
viability was observed following a 2-day exposure
period. Viability remained at this level up to a
dose of 2048 µg/ml. At 5000 µg/ml, the relative
viability was reduced to 1.3%.

In the transformation experiment, cloning


efficiency was used as a measure of toxicity.
Toxicity became evident at 20 µg/ml (27% relative
cloning efficiency) and remained near this level
through the highest dose tested, 1500 µg/ml.. The
positive control gave the expected response. The
negative controls were within acceptable limits
for the test. No treatment level exceeded the
medium controls for Type III foci. Under the
conditions of the test, GULFTENE 12-16 was
negative for cell transformation.

Reliability: (2) Reliable with restrictions: Confirmatory assay


not conducted

References: Goode, J.W. and Brecher, S. (1983) GULFTENE 12-


16: BALB/3T3 transformation test, Project 2070.
Sponsored by Gulf Life Sciences Institute,
Pittsburg, PA (unpublished report).

Other: This study was included in the dossier for


1-tetradecene at SIAM 11. Additional information
has been added.

650 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
5.7 Genetic Toxicity in vivo

A. Test Substance

Identity (purity): CAS# 629-73-2, 1-hexadecene (Alpha-olefin fraction


C16, min. 90.6%;
Vinylidenes, max.. 7.5%; internal olefins, max. 2%;
paraffins, max.1.5%)

Method

Method/guideline: OECD Guideline 474


Type: Micronucleus Test
GLP: No
Year: 1990
Species: Mouse
Strain: Random bred strain ICR-SPF (Velaz Prague)
Sex: Male and female
Route of
Administration: Oral gavage
Concentration levels: 7.85 g/kg - undiluted
Exposure period: Single dose, sampled at 24, 48 and 72 hrs after test
substance administration, and 48 hrs after
administration of negative and positive controls
Statistical methods: Statistical evaluation was done according to
tables of mutation frequencies (Kastenbaum and Bowman,
1970). Sexes were analyzed separately.

Test Conditions: The mice were housed in conventional animal housing with
natural light-dark cycle in plastic cages. The mice were
fed standard pelleted diet (VELAZ, Prague) and tap water
(quality for human consumption).

The maximum tolerated dose was determined by a


rangefinding experiment (0.1 ml test substance per 10 g
of animal weight with sacrifice at 72 hrs). No adverse
effects were observed, so the dose for testing was
determined by physical properties of 1-hexadecene.

For the mutagenicity test, animals (5 male and 5 female


per group) were 8-12 wks of age at study initiation. The
test material was administered by oral gavage in a
single dose at a concentration of 7.85 g/kg (maximum
tolerated dose) to 15 mice/sex. The positive control,
benzene (2 g/kg and 4 g/kg), was administered by oral
gavage as a single dose to 5 mice/sex. The concurrent
negative control group (5 mice/sex) received olive oil
(0.1 ml/10 g body weight). Test material treated animals
(5 animals/sex/group) were sacrificed at approximately
24, 48 and 72 hours after dose administration. Animals
dosed with olive oil and benzene were sacrificed at 48
hours only. Bone marrow was obtained from both femurs.
Bone marrow smears were prepared and stained with
Giemsa. 1000 polychromatic erythrocytes (PCE) per animal
were scored for micronuclei. The ratio of PCE to
normochromatic erythrocytes (NCE) was determined by
counting 200 erythrocytes per animal.

UNEP PUBLICATIONS 651


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
Results

Effect on
PCE/NCE ratio: A decrease in PCE/NCE ratio was observed
Genotoxic effects: Negative

NOEL: 7.85 g/kg

Remarks: There was no statistically significant increase in the


mean number of micronucleated polychromatic
erythrocytes, indicating that the test material was not
clastogenic. The positive control induced a
statistically significant increase in the mean number of
micronucleated polychromatic erythrocytes, which
indicates that the positive control is clastogenic. In
addition, the test material induced decreases in the
mean percent of polychromatic erythrocytes, which is a
measure of bone marrow toxicity. A highly positive
response was obtained with the positive control
substance.

Sex Dose Interval No.PCE MNPCE/ PCE/(PCE+NCE)


(g/kg) (hrs) 1000 PCE
mean SD(%)

Male 7.85 24 5000 1.4 2.2 45.0


48 5000 1.8 1.6 45.0
72 5000 1.0 1.2 48.1
olive oil 48 5000 1.2 0.8 48.6

Female 7.85 24 5000 1.2 1.1 48.3


48 5000 0.8 1.1 43.3
72 5000 0.8 0.8 42.9
olive oil 48 5000 0.6 0.9 49.3

Reliability: (2) Reliable with restrictions: no GLP

Flag: Key study for SIDS endpoint

References: Research Institute of Organic Synthesis a.s (1990)


Pardubice, Czech Republic Project No. T2129
(unpublished report).

B. Test Substance

Identity (purity): C12-16 Alpha Olefin Fraction (GULFTENE 12-16)

Remarks Blend of linear 1-dodecene (CAS No. 112-41-4), 1-


tetradecene (CAS No. 1120-36-1), and 1-hexadecene (CAS
No. 629-73-2). Composition of the blend was undefined in
the report; analysis of other contemporary GULFTENE 12-
16 blends showed 65-80% C12, 16-25% C14, and 4-5% C16

Method

Method/guideline: Equivalent to OECD 474


Type: Micronucleus Assay
GLP: Yes

652 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
Year: 1982
Species: Mouse
Strain: Crl:Cd-1 (ICR) BR Swiss
Sex: Male and female
Route of
Administration: Dermal
Concentration levels: 1000, 2500 and 5000 mg/kg. Concentrations were
based on the results of a range-finding study.
Exposure period: 2 days
Statistical methods: The group mean bodyweight was calculated for each
day. The treatment and group means were compared using
Student’s t test. The group means and standard
deviations for polychromatic erythrocytes (PCE) with
micronuclei, and the group mean ratio of PCE to
normochromatic erythrocytes (NCE) were calculated.
Values from treated groups were compared with values
from the vehicle control group using Student’s t test.
The test would be considered positive if there were a
significant increase in micronucleated PCE at any dose
level, and if a dose-related response were evident.

Test Conditions: Animals were 11 wks of age at start of treatment and


weighed 28-38 g (males) and 22-30 g (females). Test
article was administered undiluted. Negative control in
the test was corn oil; cyclophosphamide was positive
control. Test article was applied at a maximum volume
of 0.2 ml on the shaved backs of the mice of Days 1 and
2. Cyclophosphamide was given by intraperitoneal
injection at a dose of 75 mg/kg. Cyclophosphamide-
treated animals were sacrificed on day 3; other groups
were sacrificed on days 3 and 4 and bone marrow smears
were prepared. Smears were stained with May-Grunwald and
Giemsa stains and examined microscopically.
Approximately 1000 PCEs and all NCEs in the scan path
were observed for each animal. Animals were weighed on
Days 1, 3 and 4 and observed daily.

Results

Effect on
PCE/NCE ratio: Results not reported
Genotoxic effects: Negative.

NOEL: 5.0 g/kg

Remarks: All animals (5 per sex per group) survived to sacrifice.


There were no remarkable clinical findings, or effects
on body weight changes. Slides from animals given corn
oil and cyclophosphamide gave expected results. Slides
from animals given GULFTENE C12-16 gave no significant
increase (T-test, p< 0.05) in micronucleated bone marrow
erythrocytes or dose related response.

Reliability: (1) Reliable without restrictions

References: Gulf Life Sciences Center, Pittsburgh, Pennsylvania


(1983) Micronucleus Test in Mouse Bone Marrow with
GULFTENE 12-16 Administered by Dermal Application for 2
Days. Gulf Oil Chemicals Company, Sponsor (unpublished
report).

UNEP PUBLICATIONS 653


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
Other: This study was included in the dossier for 1-tetradecene
at SIAM 11. Additional information has been added.

5.8 Carcinogenicity

Remarks: No long-term carcinogenicity tests have been conducted


on long-chain alpha olefins. However, there are no
structural indicators to suggest carcinogenicity. For
analogy, long-term carcinogenicity studies have been
conducted for alpha olefin sulfonates (AOS) derived from
alpha olefins of similar alkyl length. For example,
Hunter and Benson (1976) fed rats mixed C14-16 AOS at
dietary levels of 1000, 2500, and 5000 ppm for two
years. Blood chemistries, urinalyses, and
histopathological findings were comparable to control
values. There was no increase in tumors from the
feeding of the test article. Three carcinogenicity
studies of AOS reported by Oba and Takei (1992)
indicated that these AOS were not carcinogenic by oral
or dermal routes.

References: Hunter B., and H.G. Benson (1976) Long-term toxicity of


the surfactant alpha-olefin sulphonate in the rat.
Toxicology 5:359-370.

Oba, K. and R. Takei (1992) Carcinogenic,


mutagenic/genetic toxicity and teratogenic properties.
Chapter 7, pp. 331-409, in Anionic Surfactants:
Biochemistry, Toxicology, and Dermatology, 2nd edition,
Eds. C. Gloxhuber and K. Kuenstler, Surfactant Science
Series, Vol. 43, Marcel-Dekker, Inc., New York.

Other: These remarks were included in the dossier for 1-


tetradecene at SIAM 11.

5.9 Reproductive Toxicity (including Fertility and Developmental Toxicity).

A. Fertility

(1) Test Substance

Identity (purity): CAS No. 1120-36-1, 1-Tetradecene (99%)

Remarks: Blend of three suppliers’ 1-tetradecene

Method

Method/guideline: 0ECD 422 (see Section 5.5B for general toxicity


endpoints and Section 5.9B for developmental
toxicity endpoints)

Type: Combined Repeated Dose Toxicity Study with


Reproduction/Developmental Toxicity Screening Test
GLP: Yes
Year: 1995
Species: Rat
Strain: Sprague-Dawley
Route of

654 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
administration: Oral gavage
Concentration levels: 0, 100, 500, 1000 mg/kg/day
Sex: Male and female
Control group
and treatment: Corn oil by oral gavage
Frequency of treatment: Daily
Exposure period: Up to 51 days; see Remarks
Duration of test: Through lactation day 4 for pups
Premating exposure
period for males: 4 weeks
Premating exposure
period for females: 2 weeks

Statistical methods: Continuous data, including body weights,


body weight gain, food consumption, clinical
pathology data, organ weights, gestation length,
mean live litter size, implantation scar counts,
were analyzed by One-Way Analysis of Variance. If
significance was detected, group by group
comparisons were performed using Dunnett’s test.
Count data were analyzed utilizing Chi-Square test
for copulation and fertility indices, pup sex
ratios, the number of live and dead pups per group
on lactation day ) and pup survival after
lactation day 0. All analyses utilized two-tailed
tests for a minimum significance of 5% comparing
the control group to the treated groups.

Test Conditions: This study was conducted to provide screening


information on the potential for systemic,
reproductive, developmental and neurotoxicity of
1-tetradecene when given orally, by gavage, to
parental male and female Spraque Dawley rats. At
study initiation, the males were 6 wks of age and
weighed 159-220 g; the females were 8 wks of age
and weighed 184-242 g (satellite) and 158-215 g
(breeding). The study consisted of one control
group and three treatment groups with 12 males and
20 females in each group. F0 males were treated
for 28 days prior to mating, during mating and
until the day prior to euthanasia (43-47 days).
The twelve F0 females were dosed 14 days prior to
mating and during mating, gestation and lactation
until the day prior to euthanasia (42-51 days).
The eight remaining females per group were a
satellite group for evaluation of neurotoxicity,
clinical pathology and histopathology parallel to
the breeding males, but were not bred

Doses were selected based on the results of a 14-


day rangefinding study. Doses used in the study
were 0 mg/kg/day (corn oil vehicle only), 100
mg/kg/day, 500 mg/kg/day, and 1000 mg/kg/day,
administered in a volume of 5 ml/kg. Animals were
observed daily for signs of toxicity. Male and
satellite female body weights were measured weekly
throughout the study. Breeding female body weights
were also measured weekly, prior to mating. When
positive evidence of mating was detected for these
females, body weights were measured on gestation
days 0, 7, 14, and 20 and lactation days 1 and 4.

UNEP PUBLICATIONS 655


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
Body weights for mated females with no evidence of
copulation were measured weekly until euthanasia.
Food consumption was measured on the same days as
the body weights, except during the cohabitation
period. Breeding females were allowed to deliver
and raise offspring until lactation day 4. All F0
males and females were subjected to gross necropsy
when euthanized. Selected F0 males and all
satellite females were evaluated for motor
activity, clinical pathology, and functional
observational battery before euthanasia. The
liver, kidneys, testes/ovaries, adrenal glands,
thymus, spleen, brain and heart of each animal
were weighed. Specified tissues were retained and
preserved on selected males and all females.
Microscopic examination was conducted on gross
lesions from all animals, on selected tissues
(accessory genital organs, adrenals, aorta, brain,
cecum, colon, duodenum, esophagus, exorbital
lachrymal glands, eyes with optic nerve, femur,
heart, ileum, jejunum, kidneys, liver, lungs,
mammary gland, mesenteric lymph node, pancreas,
peripheral nerve, pituitary, rectum, skeletal
muscle, skin, spinal cord, spleen, sternum with
bone marrow, stomach, submaxillary salivary gland,
testes or ovaries, thymus, thyroid, parathyroid,
tongue, trachea, and urinary bladder) from five
randomly selected males and satellite females from
the control and high dose groups; the lungs,
liver, kidneys, and reproductive organs [female
only] from an additional 3 males and 3 satellite
females from the control and high dose groups and
from 8 males and 8 satellite females from the 100
mg/kg/day and 500 mg/kg/day groups).

Results

NOAEL: NOAEL Parental (reproductive toxicity) = 1000


mg/kg
NOEL for F1 offspring = 1000 mg/kg/day

Actual dose received


by dose level by
sex if known: As administered. Analysis of dosing mixtures
confirmed that mixtures were accurately prepared.

Maternal and Paternal


general toxicity: see Section 5.5 B

Reproductive toxicity
observed in parental
animals: none

Reproductive toxicity
observed in offspring: none

Remarks: Minor clinical signs (salivation and urine


staining) were noted in satellite females and F0
parent animals. Male and female rat livers showed
hepatocyte cytoplasmic vacuolation to some degree
in the 500 and 1000 mg/kg/day groups. This was

656 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
associated with increases in liver weights. (See
section 5.5 B for systemic and neurotoxicity
results, and section 5.9 B for developmental
results). There were no differences in
measurements of fertility or reproductive capacity
in the F0 generation, nor were there developmental
effects in the F1 generation through day 4 of
lactation. The NOAEL for reproductive effects was
1000 mg/kg/day in males and females.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Daniel, E.M. (1995) Combined Repeated Dose


Toxicity Study/ Reproduction/Developmental
Toxicity Screening Test in Rats with 1-
Tetradecene. Conducted by Springborn Laboratories,
Inc., Spencerville, Ohio, for Chemical
Manufacturers Association, Alpha Olefins Panel,
sponsor (unpublished study).

Other: This study was included in the dossier for 1-


tetradecene at SIAM 11. Additional information has
been added.

(2) Test Substance

Identity (purity): C16/18 isomerised olefin


Remarks: C14-0.4%, C16-53.6%, C18-37.6%, C20-7.9%, C22-
0.5%. Linear terminal 1.8%, linear internal 71.9%,
Branched terminal 15.6% Trisubstituted 10.7%.

Method

Method/guideline: OECD 407 (see Section 5.5A for general toxicity


endpoints)
Test type: Subacute toxicity
GLP: Yes
Year: 2000
Species: Rat
Strain: Sprague Dawley (crl:CD BR)
Route of
Administration: Oral gavage

Duration of test: 4 weeks


Doses: 0, 25, 150, or 1000 mg/kg./day
Sex: Males and females
Exposure period: 4 weeks
Frequency
of treatment: Once daily, 7 days/week

Control group
and treatment: Concurrent vehicle control (corn oil)

Post exposure
observation period: None

Statistical methods: Analysis of variance (Snedecor and Cochran,


1980) Kruskal-Wallis non-parametric analysis

UNEP PUBLICATIONS 657


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
(Hollander and Wolfe, 1973) Fisher’s Exact
Probability test (Siegel 1956)

Test Conditions: Groups of ten rats (5M:5F) were dosed orally by


gavage once daily over a period of 28 days.
Animals were approximately 41 days old on the
first day of dosing. Animals were regularly
monitored for any signs of ill health or reaction
to treatment. Detailed functional observations
were performed weekly, with additional functional
observations performed during pretrial and week
four. Animals were weighed daily to determine
dose. Body weights and food consumption were
recorded twice weekly. Blood and urine samples
were collected during week four of the study.
After four weeks of treatment animals were
sacrificed and subjected to necropsy. A
comprehensive list of organs were weighed and /or
preserved (adrenal, brain, epididymis, eye,
gastrointestinal tract including stomach,
duodenum, jejunum, ileum, caecum, colon, rectum,
heart, kidney, liver, lung, bone marrow,
mesenteric lymph node, ovary, pituitary, prostate,
sciatic nerve, spinal cord, spleen, submandibular
lymph node, testis, thymus, thyroid with
parathyroid, trachea, urinary bladder, uterus).
Tissues from the controls and high dose animals
were subjected to histological examination.
Histology was also performed on the male kidneys
from the lower doses.

Results

NOAEL (NOEL): The NOEL for reproductive effects from limited


data (effect on reproductive organs) appears to be
1000 mg/kg/day (the highest dose tested).

Actual dose received


by dose level by
sex if known: Actual doses for both sexes were 0, 25, 150, or
1000 mg/kg/day

Remarks: Please see Repeated Dose Toxicity, Section 5.5 A


for general toxicity results. There was no
evidence of toxicity to reproductive organs in
animals treated at levels up to 1000 mg/kg/day.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint.

References: Clubb, S. (2000) AmoDrill 1000 4-Week Toxicity


Study Including Neurotoxicity Screening in Rats
with Administration by Gavage. Inveresk Project
Number 454729. Inveresk Report Number 17561.
Inveresk Research Tranent EH33 2NE Scotland.
Sponsor Amoco Corporation (unpublished report).

658 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
B. Developmental Toxicity

Test Substance

Identity (purity): CAS No. 1120-36-1, 1-Tetradecene (99%)

Remarks: Blend of three suppliers’ 1-tetradecene

Method/guideline: 0ECD 422 (see Section 5.5B for general toxicity


endpoints and Section 5.9A for reproductive toxicity
endpoints)
Type: Combined Repeated Dose Toxicity Study with
Reproduction/Developmental Toxicity Screening Test
GLP: Yes
Year: 1995
Species: Rat
Strain: Sprague-Dawley
Route of
administration: Oral gavage
Concentration levels: 0, 100, 500, 1000 mg/kg/day
Sex: Male and female
Control group
and treatment: Corn oil by oral gavage
Frequency of treatment: Daily
Exposure period: Up to 51 days; see Remarks
Duration of test: Through lactation day 4 for pups
Premating exposure
period for males: 4 weeks
Premating exposure
period for females: 2 weeks

Statistical methods: Continuous data, including body weights, body


weight gain, food consumption, clinical pathology data,
organ weights, were analyzed by One-Way Analysis of
Variance. If significance was detected, group by group
comparisons were performed using Dunnett’s test. Count
data were analyzed utilizing Chi-Square test for
copulation and fertility indices, pup sex ratios, the
number of live and dead pups per group on lactation day
) and pup survival after lactation day 0. All analyses
utilized two-tailed tests for a minimum significance of
5% comparing the control group to the treated groups.

Test Conditions: This study was conducted to provide screening


information on the potential for systemic, reproductive,
developmental and neurotoxicity of 1-tetradecene when
given orally, by gavage, to parental male and female
Spraque Dawley rats. At study initiation, the males
were 6 wks of age and weighed 159-220 g; the females
were 8 wks of age and weighed 184-242 g (satellite) and
158-215 g (breeding). The study consisted of one control
group and three treatment groups with 12 males and 20
females in each group. F0 males were treated for 28 days
prior to mating, during mating and until the day prior
to euthanasia (43-47 days). The twelve F0 females were
dosed 14 days prior to mating and during mating,
gestation and lactation until the day prior to
euthanasia (42-51 days). The eight remaining females
per group were a satellite group for evaluation of
neurotoxicity, clinical pathology and histopathology
parallel to the breeding males, but were not bred

UNEP PUBLICATIONS 659


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005

Doses were selected based on the results of a 14-day


rangefinding study. Doses used in the study were 0
mg/kg/day (corn oil vehicle only), 100 mg/kg/day, 500
mg/kg/day, and 1000 mg/kg/day, administered in a volume
of 5 ml/kg. Animals were observed daily for signs of
toxicity. Male and satellite female body weights were
measured weekly throughout the study. Breeding female
body weights were also measured weekly, prior to mating.
When positive evidence of mating was detected for these
females, body weights were measured on gestation days 0,
7, 14, and 20 and lactation days 1 and 4. Body weights
for mated females with no evidence of copulation were
measured weekly until euthanasia. Food consumption was
measured on the same days as the body weights, except
during the cohabitation period. Breeding females were
allowed to deliver and raise offspring until lactation
day 4. All F0 males and females were subjected to gross
necropsy when euthanized. Selected F0 males and all
satellite females were evaluated for motor activity,
clinical pathology, and functional observational battery
before euthanasia. The liver, kidneys, testes/ovaries,
adrenal glands, thymus, spleen, brain and heart of each
animal were weighed. Specified tissues were retained and
preserved on selected males and all females.
Microscopic examination was conducted on gross lesions
from all animals, on selected tissues (accessory genital
organs, adrenals, aorta, brain, cecum, colon, duodenum,
esophagus, exorbital lachrymal glands, eyes with optic
nerve, femur, heart, ileum, jejunum, kidneys, liver,
lungs, mammary gland, mesenteric lymph node, pancreas,
peripheral nerve, pituitary, rectum, skeletal muscle,
skin, spinal cord, spleen, sternum with bone marrow,
stomach, submaxillary salivary gland, testes or ovaries,
thymus, thyroid, parathyroid, tongue, trachea, and
urinary bladder) from five randomly selected males and
satellite females from the control and high dose groups;
the lungs, liver, kidneys, and reproductive organs
[female only] from an additional 3 males and 3 satellite
females from the control and high dose groups and from 8
males and 8 satellite females from the 100 mg/kg/day and
500 mg/kg/day groups).
Results

NOAEL: NOAEL for maternal toxicity = 1000 mg/kg/day


NOAEL for teratogenicity = 1000 mg/kg/day

Actual dose received


by dose level by
sex if known: As administered. Analysis of dosing mixtures confirmed
that mixtures were accurately prepared.

Maternal and Paternal


general toxicity: See Section 5.5 B

Remarks: Minor clinical signs (salivation and urine staining)


were noted in satellite females and F0 parent animals.
Male and female rat livers showed hepatocyte cytoplasmic
vacuolation to some degree in the 500 and 1000 mg/kg/day
groups. This was associated with increases in liver
weights. (See section 5.5 B for systemic and

660 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
neurotoxicity results, and section 5.9A for reproductive
toxicity results). There were no developmental effects
in the F1 generation through day 4 of lactation. The
NOAEL for developmental effects was 1000 mg/kg/day (the
highest dose).

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Daniel, E.M. (1995) Combined Repeated Dose Toxicity


Study/ Reproduction/Developmental Toxicity Screening
Test in Rats with 1-Tetradecene. Conducted by Springborn
Laboratories, Inc., Spencerville, Ohio, for Chemical
Manufacturers Association, Alpha Olefins Panel, sponsor
(unpublished study).

Other: This study was included in the dossier for 1-tetradecene


at SIAM 11. Additional information has been added. This
study also appears in Section 5.9.A(2), Fertility.

5.10 Other Relevant Information

A. Aspiration

Test Substance

Identity: CAS No. 629-73-2, 1-Hexadecene

Method

Type: General toxicity – aspiration


Species: Rat
Strain: Wistar
Sex: Male
Route of
Administration: aspiration
Dose: 0.2 mL

Results: See Remarks

Remarks: C6-C18 alkenes (even carbon numbers, alpha olefins),


source and purity unspecified, were assessed for
aspiration hazard in an animal study using Wistar rats.
Four or five males were used per test article. Two-
tenths mL of the test material was placed in the mouths
of rats that had been anesthetized to the point of apnea
in a covered wide mouth gallon jar containing about 1
inch of wood shavings moistened with approximately 1
ounce of anhydrous diethyl ether. As the animals began
to breathe again, the nostrils were held until the test
material had been aspirated or the animal regained
consciousness. All alkenes tested except 1- hexene were
aspirated into the lungs. 1-Hexene was difficult to
dose because of its volatility. Two animals survived
because the hydrocarbon “boiled” out of the mouth before
it was aspirated. All animals exposed to C8 to C14 died
within 24 hours. With C16 and C18, there was only one
death (C18). Lung weights were increased in alkenes-
treated animals compared with controls. The affected

UNEP PUBLICATIONS 661


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
animals showed chemical pneumonitis. The report
concluded that there is a significant aspiration hazard
with C6 to C14 alkenes.

Reference: Gerarde, H.W. (1963) Toxicological Studies on


Hydrocarbons. Archives of Environmental Health, 6: 329-
341.

Other: This study was included in the dossier for 1-tetradecene


at SIAM 11.

B. Neurotoxicity

(1) Test Substance

Identity (purity): C16-18 isomerised olefin


Remarks: C14-0.4%, C16-53.6%, C18-37.6%, C20-7.9%, C22-
0.5%. Linear terminal 1.8%, linear internal 71.9%,
Branched terminal 15.6% Trisubstituted 10.7%.

Method

Method/guideline: OECD 407 (See Sec. 5.5.A for general toxicity


endpoints)
Test type: subacute toxicity
GLP: Yes
Year: 2000
Species: Rat
Strain: Sprague Dawley (crl:CD BR)
Route of
Administration: Oral gavage

Duration of test: 4 weeks


Doses: 0, 25, 150, or 1000 mg/kg./day
Sex: Males and females
Exposure period: 4 weeks
Frequency
of treatment: Once daily, 7 days/week

Control group
and treatment: Concurrent vehicle control (corn oil)

Post exposure
observation period: None

Statistical methods: Analysis of variance (Snedecor and Cochran,


1980) Kruskal-Wallis non-parametric analysis
(Hollander and Wolfe, 1973) Fisher’s Exact
Probability test (Siegel 1956)

Test Conditions: Groups of ten rats (5M:5F) were dosed orally by


gavage once daily over a period of 28 days.
Animals were approximately 41 days old on the
first day of dosing. Animals were regularly
monitored for any signs of ill health or reaction
to treatment. Detailed functional observations
were performed weekly, with additional functional
observations performed during pretrial and week
four. Animals were weighed daily to determine
dose. Body weights and food consumption were

662 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
recorded twice weekly. Blood and urine samples
were collected during week four of the study.
After four weeks of treatment animals were
sacrificed and subjected to necropsy. A
comprehensive list of organs were weighed and /or
preserved (adrenal, brain, epididymis, eye,
gastrointestinal tract including stomach,
duodenum, jejunum, ileum, caecum, colon, rectum,
heart, kidney, liver, lung, bone marrow,
mesenteric lymph node, ovary, pituitary, prostate,
sciatic nerve, spinal cord, spleen, submandibular
lymph node, testis, thymus, thyroid with
parathyroid, trachea, urinary bladder, uterus).
Tissues from the controls and high dose animals
were subjected to histological examination.
Histology was also performed on the male kidneys
from the lower doses.

Results

NOAEL (NOEL): NOAEL = 1000 mg/kg/day (neurotoxicity)

Actual dose received


by dose level by
sex if known: Actual doses for both sexes were 0, 25, 150, or
1000 mg/kg/day

Remarks: See Sec. 5.5.A for general toxicity resuslts.

There was no evidence of neurotoxicity noted in


animals treated at levels up to 1000 mg/kg/day.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint.

References: Clubb, S. (2000) AmoDrill 1000 4-Week Toxicity


Study Including Neurotoxicity Screening in Rats
with Administration by Gavage. Inveresk Project
Number 454729. Inveresk Report Number 17561.
Inveresk Research Tranent EH33 2NE Scotland.
Sponsor Amoco Corporation (unpublished report).

(2) Test Substance

Identity (purity): CAS No. 1120-36-1, 1-Tetradecene

Remarks: Blend of three suppliers’ 1-tetradecene, 99%


purity

Method

Method/guideline: OECD 422 (See Sec. 5.5.B for general toxicity


endpoints)
Test type: Combined repeated dose toxicity study with
reproduction/developmental toxicity screening test
GLP: Yes
Year: 1995
Species: Rat

UNEP PUBLICATIONS 663


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
Strain: Sprague-Dawley
Route of
Administration: Oral gavage

Duration of test: Up to 51 days; see Remarks


Doses: 0, 100, 500, or 1000 mg/kg b.w./day
Sex: Males and females
Exposure period: Up to 51 days, see Remarks
Frequency
of treatment: Once daily

Control group
and treatment: Concurrent vehicle control (corn oil)

Post exposure
observation period: None

Statistical methods: Continuous data, including body weights,


body weight gain, food consumption, clinical
pathology data, organ weights, forelimb and
hindlimb grip strength, landing footsplay and
motor activity were analyzed by One-Way Analysis
of Variance. If significance was detected, group
by group comparisons were performed using
Dunnett’s test. All analyses utilized two-tailed
tests for a minimum significance of 5% comparing
the control group to the treated groups.

Test Conditions: This study was conducted to provide screening


information on the potential for systemic,
reproductive, developmental and neurotoxicity of
1-tetradecene when given orally, by gavage, to
parental male and female Spraque Dawley rats. At
study initiation, the males were 6 wks of age and
weighed 159-220 g; the females were 8 wks of age
and weighed 184-242 g (satellite) and 158-215 g
(breeding). The study consisted of one control
group and three treatment groups with 12 males and
20 females in each group. F0 males were treated
for 28 days prior to mating, during mating and
until the day prior to euthanasia (43-47 days).
The twelve F0 females were dosed 14 days prior to
mating and during mating, gestation and lactation
until the day prior to euthanasia (42-51 days).
The eight remaining females per group were a
satellite group for evaluation of neurotoxicity,
clinical pathology and histopathology parallel to
the breeding males, but were not bred.

Doses were selected based on the results of a 14-


day rangefinding study. Doses used in the study
were 0 mg/kg/day (corn oil vehicle only), 100
mg/kg/day, 500 mg/kg/day, and 1000 mg/kg/day,
administered in a volume of 5 ml/kg. Animals were
observed daily for signs of toxicity. Breeding
females were All F0 males and females were
subjected to gross necropsy when euthanized.
Selected F0 males and all satellite females were
evaluated for motor activity, clinical pathology,
and functional observational battery before
euthanasia. The liver, kidneys, testes/ovaries,

664 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
5. TOXICITY ID: 629-73-2
DATE: 28.04.2005
adrenal glands, thymus, spleen, brain and heart of
each animal were weighed. Specified tissues were
retained and preserved on selected males and all
females. Microscopic examination was conducted on
gross lesions from all animals, on selected
tissues including nervous system tissues (brain,
optic nerve, peripheral nerve, spinal cord) from
five randomly selected males and satellite females
from the control and high dose groups.

Results

NOAEL (NOEL): 1000 mg/kg/day (neurotoxicity)

Actual dose received


by dose level by
sex if known: As administered. Analysis of dosing mixtures
confirmed that mixtures were accurately prepared.

Remarks: See Sec. 5.5.B for general toxicity results and


Sections 5.9 A and B for reproductive and
developmental toxicity results.

There were no test article-related differences in


the functional observational battery and motor
activity tests that would indicate neurotoxicity.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint.

References: Daniel, E.M. (1995) Combined Repeated Dose


Toxicity Study/Reproduction/Developmental Toxicity
Screening Test in Rats with 1-Tetradecene.
Conducted by Springborn Laboratories, Inc.,
Spencerville, Ohio, Study No. 3325.2 for the
Chemical Manufacturers Association, Alpha Olefins
Panel.

Other: This study was included in the dossier for


1-tetradecene at SIAM 11.

5.11 Experience with Human Exposure

No data available

UNEP PUBLICATIONS 665


OECD SIDS 1-HEXADECENE
6. REFERENCES ID: 629-73-2
DATE: 28.04.2005
American Chemistry Council’s Higher Olefins Panel (2002) Personal communication.

Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J. Beaumann and N. Tirado


(1994) Group contribution method for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.

Buehler, E.V. (1965) Delayed contact hypersensitivity in the guinea pig,


Archives of Dermatology 91:171-177.

Bushy Run Research Center (1992) GULFTENE 16 (Hexadecene-1): Acute peroral


toxicity testing in the rat, Project 91N0035. Conducted for Chevron Research
and Technology Company (unpublished report).

Carte, G. A report on the Acute Toxicity of Alpha Olefins C14-16 Tulane


University School of Medicine August 1976; Ethyl Corporation, Sponsor
(unpublished report).

Chemicals Inspection and Testing Institute, Japan (1992) Biodegradation and


Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan
Chemical Industry Ecology-Toxicology and Information Center.

Chevron Phillips Chemical Company Product Brochure, Company test results,


Chevron Phillips Chemical Company, The Woodlands, TX.

Chevron Phillips Chemical Company, The Woodlands, TX

Clubb, S. (2000) AmoDrill 1000 4-Week Toxicity Study Including Neurotoxicity


Screening in Rats with Administration by Gavage. Inveresk Project Number 454729.
Inveresk Report Number 17561. Inveresk Research Tranent EH33 2NE Scotland.
Sponsor Amoco Corporation (unpublished report).

Daniel, E.M. (1995) Combined Repeated Dose Toxicity


Study/Reproduction/Developmental Toxicity Screening Test in Rats with 1-
Tetradecene. Conducted by Springborn Laboratories, Inc., Spencerville, Ohio,
Study No. 3325.2 for the Chemical Manufacturers Association, Alpha Olefins
Panel.

Daubert, T.E. and R.P. Danner (1989) Physical and Thermodynamic Properties of
Pure Chemicals: Data Compilation; Design Institute for Physical Property Data,
American Institute of Chemical Engineers. Hemisphere Pub. Corp., New York, NY;
EPIWIN (2000). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

Driscoll, R. (1996) Acute dermal irritation test in the rabbit with GULFTENE 16,
Report 703/076. Conducted by Safepharm Laboratories Ltd. for Chevron Research
and Technology Company (unpublished report).

Drottar, L.R., and Swigert, J.P. (1995) 1-Tetradecene: A Water-Accommodated


Fraction 48-hour Semistatic Acute Mobilization Test With the Cladoceran (Daphnia
magna). Conducted by Wildlife International LTD., Easton, Maryland, Report No.
398A-103, for the Alpha Olefins Panel, Chemical Manufacturers Association
(unpublished report).

Drottar, L.R., and Swigert, J.P. (1995) 1-Tetradecene: A Water-Accommodated


Fraction 96-hour Semistatic Acute Toxicity Test with the Rainbow Trout
(Oncorhyncus mykiss). Conducted by Wildlife International Ltd., Easton,
Maryland, Report No. 398A-102A. for the Chemical Manufacturers Association,
Alpha Olefins Panel, Sponsor (unpublished report).

Environment & Resource Technology Ltd. (1997) Assessment of the aquatic-phase


toxicity of C16-C18 Alpha Olefin to the marine fish, Scopthalmus maximus, Study
No. 074-5-1. Conducted for Chevron Chemical Company (unpublished report).

666 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
6. REFERENCES ID: 629-73-2
DATE: 28.04.2005
Environment & Resource Technology Ltd. (1999) Assessment of ready aerobic
degradability of C16/C18 isomerized olefin base fluid in seawater. Study No.
074-9. Conducted for Chevron Chemical Company (unpublished report).

EPIWIN (2000) Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

Gerarde, H.W. (1963) Toxicological Studies on Hydrocarbons. Archives of


Environmental Health, 6: 329-341.

Gill, C.O., and Ratledge, C. (1972) Toxicity of n-Alkanes, n-Alk-1-enes, n-


Alkan-1-bromides towards Yeasts. Journal of General Microbiology, 72:165-172.

Goode, J.W. and Brecher, S. (1983) GULFTENE 12-16: BALB/3T3 transformation


test, Project 2070. Sponsored by Gulf Life Sciences Institute, Pittsburg, PA
(unpublished report).

Gould, E.S. (1959) Mechanism and Structure in Organic Chemistry, Holt, Reinhart
and Winston, New York, NY, USA.

Gulf Life Sciences (1984) Hepatocyte Primary Culture/DNA Repair Test of


GULFTENE12-16, project #2069 (unpublished report).

Gulf Life Sciences Center (1983) Two-Week Repeated Dose Toxicity Study in Rats
Using GULFTENE 12-16, Project No. 82-059. Conducted for Gulf Oil Chemicals
Company (unpublished report).

Gulf Life Sciences Center, Pittsburgh, Pennsylvania (1983) CHO/HGPRT Test:


GULFTENE 12-16, Project 82-102. Conducted for Gulf Oil Chemicals Company
(unpublished study).

Gulf Life Sciences Center, Pittsburgh, Pennsylvania (1983) Micronucleus Test in


Mouse Bone Marrow with GULFTENE 12-16 Administered by Dermal Application for 2
Days. Gulf Oil Chemicals Company, Sponsor (unpublished report).

Harris J C (1982a). Rate of Aqueous Photolysis. Chapter 8 in: W. J. Lyman, W. F.


Reehl, and D. H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, USA

Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in: W.J. Lyman, W.F. Reehl,
and D.H. Rosenblatt, eds., Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.

Hilado, C.J. and S.W. Clark (1972) Autoignition temperatures of organic


chemicals. Chemical Engineering. September 4, p.76.

Hoekstra, W.G., and P.H. Phillips (1963) Effects of topically applied mineral
oil fractions on the skin of guinea pigs. J. Invest. Derm. 40(2):79-88.

Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M. Meylan, A.E. Hueber, J.A.
Beauman and M.E. Larosche (1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem.
11:593-603.

Hunter B., and H.G. Benson (1976) Long-term toxicity of the surfactant alpha-
olefin sulphonate in the rat. Toxicology 5:359-370.

Huntingdon Research Centre (1993) GULFTENE 16 (water accommodated fraction)


Algal Growth Inhibition, Project No. CHR 47(a)/930363. Conducted for Chevron
Research and Technology Company (unpublished report).

UNEP PUBLICATIONS 667


OECD SIDS 1-HEXADECENE
6. REFERENCES ID: 629-73-2
DATE: 28.04.2005
Huntingdon Research Centre (1993) GULFTENE 16 (water accommodated fraction)
acute toxicity to rainbow trout, Study No. CHR 47(a)/930363. Conducted for
Chevron Research and Technology Company (unpublished report).

IUCLID (2000) European Commission European Chemicals Bureau

Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using


Multivariate Statistical Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E. Poling, Eds.

Lide, D.R. (ed.) (1998-1999) CRC Handbook of Chemistry and Physics. 79th ed.
Boca Raton, FL: CRC Press Inc., p. 3-181.

Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds. (1990) Handbook of Chemical
Property Estimation. Chapter 14. Washington, D.C.: American Chemical Society.

Morris, T. (1992) Delayed contact hypersensitivity study in guinea pigs (Buehler


technique). Conducted by Hill Top Biolabs, Inc., Project No. 91-8382-21 (B),
for Shell Oil Company (unpublished report).

Meylan, W. and P. Howard (1995) Atom/fragment contribution method for estimating


octanol-water partition coefficients. J. Pharm. Sci. 84:83-92.

Meylan, W., P. Howard and R. Boethling (1996) Improved method for estimating
water solubility from octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.

Meylan, W.M. and Howard, P.H. (1993) Computer estimation of the atmospheric
gas-phase reaction rate of organic compounds with hydroxyl radicals and ozone.
Chemosphere 26: 2293-99

Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved method for estimating


bioconcentration / bioaccumulation factor from octanol/water partition
coefficient. Environ. Toxicol. Chem. 18(4): 664-672.

Morris, T. (1995) Acute dermal irritation screening study in rabbits with


C16/C18 Alpha Olefins, Isomerized. Conducted by Hill Top Biolabs, Inc., Project
No. 94-8345-21 (A), for Chevron Research and Technology Company (unpublished
report).

Morris, T. (1995) Acute eye irritation screening study in rabbits with C16/C18
Alpha Olefins, Isomerized. Conducted by Hill Top Biolabs, Inc., Project No. 94-
8346-21 (A), for Chevron Chemical Company (unpublished report).

Morris, T. (1995) Delayed contact hypersensitivity study in guinea pigs (Buehler


technique). Conducted by Hill Top Biolabs, Inc., Project No. 94-8414-21, for
Chevron Research and Technology Company (unpublished report).

Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G. E. Blau, eds.


Environmental Exposure from Chemicals. Vol I., pp. 157-173. CRC Press, Boca
Raton, FL, USA.

Neely and Blau (1985) Environmental Exposure from Chemicals, Volume 1, p. 31,
CRC Press.

NLM (2003). TRI (Toxic Release Inventory). U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September 2003 (http://toxnet.nlm.nih.gov).

Oba, K. and R. Takei (1992) Carcinogenic, mutagenic/genetic toxicity and


teratogenic properties. Chapter 7, pp. 331-409, in Anionic Surfactants:
Biochemistry, Toxicology, and Dermatology, 2nd edition, Eds. C. Gloxhuber and K.
Kuenstler, Surfactant Science Series, Vol. 43, Marcel-Dekker, Inc., New York.

668 UNEP PUBLICATIONS


OECD SIDS 1-HEXADECENE
6. REFERENCES ID: 629-73-2
DATE: 28.04.2005
report).

Research Institute of Organic Synthesis a.s (1990) Pardubice, Czech Republic,


Test No. T2219 (unpublished report)

Research Institute of Organic Synthesis a.s (1990) Pardubice, Czech Republic,


Report No. T2129 (unpublished report).

Rinehart, W.E. (1967) Toxicological Studies of Several Alpha Olefins Conducted


by Department of Occupational Medicine, University of Pittsburgh, Pittsburgh,
Pennsylvania, for Gulf Research and Development Company (unpublished report).

Ritz, H.L. and E.V. Buehler (1980) Planning, conduct and interpretation of
guinea pig sensitization patch tests in Current Concepts in Cutaneous Toxicity,
ed. V. Drill and P. Lazar. Academic Press, New York, N.Y. pp. 25-42.

Shell Product Brochure for Neodene: Alpha and Internal Olefins, SC 1095-94R,
Shell Chemicals Europe Ltd.

Stein, S. and R. Brown (1994) Estimation of normal boiling points from group
contributions (1994) J. Chem. Inf. Comput. Sci. 34: 581-587.

Stillmeadow, Inc. (1993) Acute Dermal Toxicity Study in Rabbits, Study No.
0491-93. Conducted for Chevron Chemical Company (unpublished report).

Stillmeadow, Inc. (1993) C16 Alpha Olefin, Isomerized: Acute Oral Toxicity
Study in Rats, Study No. 0490-93. Conducted for Chevron Chemical Company
(unpublished report).

Thompson, S.G., and Swigert, J.P. (1995) 1-Tetradecene: A Water-Accommodating


Fraction 96-hour Toxicity Test with the Freshwater Alga (Selanastrum
capricornutum). Conducted by Wildlife International, Ltd., Easton, Maryland,
Report No. 398A-101, for Chemical Manufacturers Association, Alpha Olefins
Panel (unpublished report).

Trent University (2004). Level I Fugacity-based Environmental Equilibrium


Partitioning Model (Version 3.00) and Level III Fugacity-based Multimedia
Environmental Model (Version 2.80.1. Environmental Modeling Centre, Trent
University, Peterborough, Ontario. (Available at http://www.trentu.ca/cemc)

Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and H. Loonen (2000)


Predicting ready biodegradability in the MITI Test. Environ. Toxicol. Chem.
(accepted for publication).

Turner, S.J. and Watkinson, R.J. (1985) 1-Tetradecene: An Assessment of Ready


Biodegradabiliy. Shell Research Limited, Sittingbourne, UK (unpublished
report).

Warne, M. St. J. Connell, D.W., Hawker, D. W., and G. Schuurmann (1989)


Quantitative Structure-Activity Relationships for the Toxicity of Selected Shale
Oil Components to Mixed Marine Bacteria. Ecotoxicology and Environmental
Safety, 17: 133-148.

Watabe, T. and Yamada, N. (1975) The biotransformation of 1-hexadecene to


carcinogenic 1,2-epoxyhexadecane by hepatic microsomes. Biochemical Pharmacology
24 :1051-1053.

Zepp, R. G. and D. M. Cline (1977). Rates of Direct Photolysis in the Aqueous


Environment, Environ. Sci. Technol., 11:359-366.

UNEP PUBLICATIONS 669


OECD SIDS 1-OCTADECENE

SIDS DOSSIER
ON THE HPV CHEMICAL

1-OCTADECENE

CAS No.: 112-88-9

Contains Robust Summaries for the Following Substances:

CAS No. 112-88-9, 1-Octadecene


CAS 27070-58-2, Octadecene
CAS 27070-58-2, Octadecenes; CAS 182636-02-8, Branched Octadecenes
CAS No. 26952-14-7, Hexadecene, 49% and CAS No. 27070-58-2, Octadecene 49%
C16/18 Isomerized Olefins
C14-C18 Alpha Olefins
C18-C24 Alpha Olefins
C18-C26 Alpha Olefins
CAS No. 93924-10-8, C20-24 Alpha Olefin (even numbered carbons only)
CAS Nos. C20=182636-03-9, C22=182636-04-0, C24=182636-05-1; C20-24 Alkenes,
Branched and Linear (even-numbered carbons only)

Sponsor Country: USA

Date of submission to OECD: April 28, 2005

670 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
1. GENERAL INFORMATION ID: 112-88-9
DATE: 28.04.2005
Substance Information

A. CAS Number: 112-88-9

B. Name (OECD): 1-Octadecene

C. Name (IUPAC): 1-Octadecene

D. CAS Descriptor: Not applicable

E. EINECS Number: 204-012-9 (octadec-1-ene)

F. Molecular Formula: C18 H36

G. Structural Formula: CH3-(CH2)15-CH=CH2

Sponsor Country: United States of America

Lead Organisation:

Name of Lead Organisation: United States of America Environmental


Protection Agency
Contact person: Mr. Oscar Hernandez, Director
U.S. Environmental Protection Agency
Risk Assessment Division (7403 M)
Address:
• Street: 1200 Pennsylvania Avenue, NW
• Postal code: 20460
• Town: Washington, D.C. 20460
• Country: United States of America
• Tel: (202) 564-7461

Name of Responder (Industry Consortium):

Name: American Chemistry Council (Higher Olefins Panel)


Contact: Mr. W. D. Anderson, Higher Olefins Panel Manager
Address:
• Street: 1300 Wilson Boulevard
• Postal code: 22209
• Town: Arlington, VA
• Country: United States of America
• Tel: (703)741-5616
• Fax: (703) 741-6091

Details on Chemical Category

This profile includes an evaluation of SIDS-level testing data, using a category


approach, with six individual internal olefins (C6 – C10 and C12), a C10 – 13
internal olefins blend and two linear alpha olefins (1-hexadecene and 1-
octadecene), all of which are monoolefins. The internal olefins are
predominantly linear, but may contain small amounts of branched materials. For
the purposes of the ICCA HPV Program, the category was defined as “Higher
Olefins.” The category designation was based on the belief that, within the C6
to C18 boundaries identified, internalizing the location of the carbon-carbon
double bond, increasing the length of the carbon chain, and/or changing the

UNEP PUBLICATIONS 671


OECD SIDS 1-OCTADECENE
1. GENERAL INFORMATION ID: 112-88-9
DATE: 28.04.2005
carbon skeleton’s structure from linear to branched does not change the toxicity
profile, or changes the profile in a consistent pattern from lower to higher
carbon numbers. This expectation is supported by a large amount of existing data
for alpha and internal olefins with carbon numbers ranging from C6 to C24. The
members of the category are:

Hexene CAS # 25264-93-1

Heptene CAS # 25339-56-4

Octene CAS # 25377-83-7

Nonene CAS # 27215-95-8

Decene CAS # 25339-53-1

Dodecene CAS # 25378-22-7

Alkenes, C10-C13 CAS# 85535-87-1

1-Hexadecene CAS # 629-73-2

1-Octadecene CAS # 112-88-9

1.1 General Substance Information

A. Type of Substance

Element [ ]; Inorganic [ ]; Natural substance [ ]; Organic [X ];


Organometallic [ ];
Petroleum product [ ]

B. Physical State (at 20°C and 1.013 hPa)

Gaseous [ ]; Liquid [X ]; Solid [ ]

C. Purity: Purities reported by manufacturers: 90.6%, >91%,


80-98%

1.2 Impurities

Chemical Name: 7.7% vinylidenes (branching at the second carbon)

Chemical Name: max 5% C16 and lower olefins

Chemical Name: max 20% C20 and higher olefins

CAS No: 593-45-3


Chemical Name: <1% n-octadecane

1.3 Additives

None

1.4 Synonyms

672 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
1. GENERAL INFORMATION ID: 112-88-9
DATE: 28.04.2005
Some synonyms are: 1-Octadecylene
Octadecylene-1
alpha-Octadecene
alpha-Octadecylene
1-n-Octadecene
n-Octadec-1-ene

1.5 Quantity

Remarks: U.S. production volume for 1-octadecene in 2002 was 100 – 200
million pounds. This information was provided by the members of the
American Chemistry Council’s Higher Olefins Panel.

Reference: American Chemistry Council’s Higher Olefins Panel (2002)

1.6 Use Pattern

A. General Use Pattern

Type of Use: Category:

(a) Main Use in closed systems


Industrial Chemical industry – chemicals used in
synthesis
Use Intermediate

Remarks: Intermediate in the manufacture of lube oil


additives, hydraulic fluids and additives, and
surfactants; and direct components of drilling
fluids for off-shore oil exploration

(b) Main Non-dispersive use


Industrial Chemical industry – chemicals used in
synthesis
Use Intermediate

Remarks: Intermediate in the manufacture of lube oil


additives, hydraulic fluids and additives, and
surfactants; and direct components of drilling
fluids for off-shore oil exploration

Reference: American Chemistry Council’s Higher Olefins Panel

B. Uses In Consumer Products

Not applicable

1.7 Sources of Exposure

Source:

Remarks: This product is produced commercially in closed systems and is used


primarily as an intermediate in the production of other chemicals.
C18 olefins are blended with other chemicals for use as drilling
fluids for off-shore oil exploration. No other non-intermediate
applications have been identified. Any occupational exposures that
do occur are most likely by the inhalation and dermal routes. It is

UNEP PUBLICATIONS 673


OECD SIDS 1-OCTADECENE
1. GENERAL INFORMATION ID: 112-88-9
DATE: 28.04.2005
a common practice to use personal protective equipment. In the case
of dermal exposures, protective gloves would be worn due to the
mildly irritating properties of this class of chemicals (ACC Higher
Olefins Panel). Results from modelled data suggest that on-site
waste treatment processes are expected to remove this substance from
aqueous waste streams to the extent that it will not be readily
detectable in effluent discharge (EPIWIN, 2000). This substance is
not on the US Toxic Release Inventory (TRI) list (NLM, 2003). This
olefin will not persist in the environment because it can be rapidly
degraded through biotic and abiotic processes.

Reference: American Chemistry Council’s Higher Olefins Panel (2002)

1.8 Additional Information

A. Classification and Labelling

Classification

Type: as in Directive 67/548/EEC


Category of danger: Harmful
R-phrases: (65) Harmful: may cause lung damage if swallowed

Labelling

Type: as in Directive 67/548/EEC


Specific limits: no
Symbols: Xn
Nota:
R-phrases: (65) Harmful: may cause lung damage if swallowed
(66) Repeated exposure may cause skin dryness or
cracking
S-phrases: (24/25) Avoid contact with skin and eyes
(28) After contact with skin, wash immediately with
plenty of …
(62) If swallowed, do not induce vomiting: seek
medical advice immediately and show this container
or label

B. Occupational Exposure Limits

Exposure Limit Value

Type: None established


Value:

Short Term Exposure Limit Value

Value: None established

C. OPTIONS FOR DISPOSAL

Remarks: Incineration or diversion to other hydrocarbon uses

674 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
1. GENERAL INFORMATION ID: 112-88-9
DATE: 28.04.2005

D. Last Literature Search

Type of search: Internal and external


Date of search: October 2003
Remark: Medline
IUCLID
TSCATS
ChemIDplus
AQUIRE - ECOTOX

UNEP PUBLICATIONS 675


OECD SIDS 1-OCTADECENE
2. PHYSICO-CHEMICAL DATA ID: 112-88-9
DATE: 28.04.2005
2.1 Melting Point

A. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method/
guideline followed: Calculated value using the computer program
EPIWIN, MPBPWIN
v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Melting Point is calculated by the MPBPWIN subroutine,


which is based on the results of the methods of K.
Joback, and Gold and Ogle, and chemical structure.
Joback's Method is described in Joback, (1982). The Gold
and Ogle Method simply uses the formula Tm = 0.5839Tb,
where Tm is the melting point in Kelvin and Tb is the
boiling point in Kelvin. Because the differences in
results were large, the selected value was a weighted
value rather than a mean value.

Results

Melting point
value in °C: 17.70°C

Reliability: (2) Reliable with restrictions. The result includes


calculated data based on chemical structure as modeled
by EPIWIN.

References: Joback, K.G. 1982. A Unified Approach to Physical


Property Estimation Using Multivariate Statistical
Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E.
Poling, Eds.

EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method/
guideline followed: ASTM D 97
GLP: No data
Year: No data

Test Conditions: In accord with ASTM D97

Results

676 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
2. PHYSICO-CHEMICAL DATA ID: 112-88-9
DATE: 28.04.2005
Melting point
value in °C: 18.3°C

Reliability: (2) Reliable with restrictions. Reliable source. These


data were not reviewed for quality.

Flag: Key study for SIDS endpoint

References: Chevron Phillips Chemical Company, The Woodlands, TX.


(unpublished report).

C. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method/
guideline followed: No data
GLP: No data
Year: No data

Test Conditions: No data

Results

Melting point
value in °C: 17.5°C

Reliability: (2) Reliable with restrictions. The result is


experimental data as cited in the EPIWIN database. These
data were not reviewed for quality.

References: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

2.2 Boiling Point

A. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method/
guideline followed: Calculated value using the computer program EPIWIN
MPBPWIN v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Boiling Point is calculated by the MPBPWIN subroutine,


which is based on the method of Stein and Brown (1994).

Results

Boiling point
value in °C: 306.27°C

UNEP PUBLICATIONS 677


OECD SIDS 1-OCTADECENE
2. PHYSICO-CHEMICAL DATA ID: 112-88-9
DATE: 28.04.2005
Pressure:
Pressure unit: 1013
Remarks: hPa

Reliability: (2) Reliable with restrictions. The result includes


calculated data based on chemical structure as modeled
by EPIWIN.

References: Stein, S. and R. Brown (1994) Estimation of normal


boiling points from group contributions (1994) J. Chem.
Inf. Comput. Sci. 34: 581-587.
EPIWIN (2000) Estimation Program Interface for Windows,
version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Test Substance
Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method/
guideline followed: No data
GLP: No data
Year: No data
Test Conditions: No data

Results

Boiling point
value in °C: 315°C
Pressure: 1013
Pressure unit: hPa
Remarks:

Reliability: (2) Reliable with restrictions. Reliable secondary


source. Data were not reviewed for quality

Flag: Key study for SIDS endpoint

References: Texas Research Center Thermodynamics Tables, Texas A&M


University, College Station, Texas, USA.

2.3 Density (Relative Density)

Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Remarks: Purity approx. 92%

Method

Method: ASTM D 287


GLP: No

Test Conditions: No data

678 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
2. PHYSICO-CHEMICAL DATA ID: 112-88-9
DATE: 28.04.2005
Results

Type: Bulk density [ ]; Density [ ]; Relative Density [x ]

Value: 0.793

Temperature (°C): 15.6/15.6

Reliability: (2) Reliable with restrictions. Test conducted by


reliable testing facility but data were not evaluated
for quality.

Reference: Chevron Phillips Chemical Company, The Woodlands, TX


(unpublished report)

2.4 Vapour Pressure

A. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method/
guideline followed: Not reported
GLP: Not applicable
Year:

Test Conditions:

Results
Vapor Pressure
value: 0.00009 hPa
Temperature (°C ): 25°C
Remarks: Reported as 0.0000675 mm Hg (25°C)

Reliability: (2) Reliable with restrictions. The result is measured


data as cited in the EPIWIN database. These data were
not reviewed for quality.

Flag: Key study for SIDS endpoint

References: Daubert, T.E. and Danner, R.P. (1989) Physical and


Thermodynamic Properties of Pure Chemicals: Data
Compilation; Design Institute for Physical Property
Data, American Institute of Chemical Engineers.
Hemisphere Pub. Corp., New York, NY; EPIWIN (2000).
Estimation Program Interface for Windows, version 3.11.
EPI Suite™ software, U.S. Environmental Protection
Agency, Office of Pollution Prevention and Toxics,
U.S.A.

B. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method/

UNEP PUBLICATIONS 679


OECD SIDS 1-OCTADECENE
2. PHYSICO-CHEMICAL DATA ID: 112-88-9
DATE: 28.04.2005
guideline followed: Calculated value using the computer program
EPIWIN, MPBPWIN v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Vapor Pressure is calculated by the MPBPWIN subroutine,


which is based on the modified Grain Method described by
Neely and Blau, 1985. The calculation used an
experimental value for BP of 315 °C.

Results

Vapor Pressure
value: 0.00223 hPa
Temperature (°C ): 25°C
Remarks: Reported as 0.00167 mm Hg

Reliability: (2) Reliable with restrictions. The result is


calculated data as modeled by EPIWIN.

References: Neely and Blau (1985) Environmental Exposure from


Chemicals, Volume 1, p. 31, CRC Press.

EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

C. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method/
guideline followed: Calculated value using NOMO5 method using two
measured values at higher temperature and reduced
boiling points.
GLP: Not applicable
Year: Not applicable

Test Conditions: No data

Results

Vapor Pressure
value: 0.00085 – 0.0013 hPa
Temperature (°C ): 25°C

Reliability: (2) Reliable with restrictions. The result is


calculated data.

References: U.S. Environmental Protection Agency, Review by Dr. L.


Scarano, OPPT/Risk Assessment Division.

680 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
2. PHYSICO-CHEMICAL DATA ID: 112-88-9
DATE: 28.04.2005
2.5 Partition Coefficient (log10Kow)

A. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method: OECD Guideline 117


GLP: Yes
Year: 1985

Test Conditions: Reverse phase HPLC method was employed for measuring the
partition coefficients. The HPLC system used was a
reverse-phase C18-coated silica gel column (Partisil
ODS-3), 250 mm x 5 mm id, with a mobile phase of 19
volumes methanol and 1 volume water (final pH 6.8) at a
flow rate of 1 ml min-1. Samples of an approximate 1 mg
ml-1 solution in the above mobile phase were injected
and the emergence of the material detected using
relative index detection. From the retention time of
the peak, the log Kow value was determined.

Results

Log Kow: >8


Temperature (°C ): 25

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint

Reference: Pearson, N. (1985) Shell Research Ltd. Report


SBGR.85.059. Reported in IUCLID.

B. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method: Calculated value using the computer program EPIWIN,


KOWWIN v1.67
GLP: Not applicable
Year: Not applicable

Test Conditions: Octanol / Water Partition Coefficient is calculated by


the KOWWIN subroutine, which is based on an
atom/fragment contribution method of Meylan and Howard
(1995).

Results

Log Kow: 9.0448


Temperature (°C ): Not applicable

Reliability: (2) Reliable with restrictions. The result was


calculated based on chemical structure as modeled by
EIPWIN.

UNEP PUBLICATIONS 681


OECD SIDS 1-OCTADECENE
2. PHYSICO-CHEMICAL DATA ID: 112-88-9
DATE: 28.04.2005

Reference: Meylan, W. and P. Howard (1995) Atom/fragment


contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.

EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

2.6.1 Water Solubility (including *Dissociation Constant).

A. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method/
guideline followed: Calculated value using the computer program
EPIWIN, WSKOW v 1.41
GLP: Not applicable
Year: Not applicable

Test Conditions: Water Solubility is calculated by the WSKOW


subroutine, which is based on a Kow correlation
method described by Meylan et al., 1996. The
calculation used an estimated Log Kow of 9.04
(estimated by EPIWIN ) and a melting point of
18.3.

Results

Value(mg/L) at
temperature ( °C): 0.0001508 mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result was


calculated by EPIWIN using an estimated Log Kow.

Flag: Key study for SIDS endpoint

References: Meylan, W., P. Howard and R. Boethling (1996)


Improved method for estimating water solubility
from octanol/water partition coefficient. Environ.
Toxicol. Chem. 15:100-106.

EPIWIN (2000). Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method/

682 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
2. PHYSICO-CHEMICAL DATA ID: 112-88-9
DATE: 28.04.2005
guideline followed: Calculated value using the computer program
EPIWIN, WATERNT v 1.01
GLP: Not applicable
Year: Not applicable

Test Conditions: The water solubility is calculated by the WATERNT


subroutine, which is based on an atom/fragment
contribution method of Meylan and Howard (1995).

Results

Value(mg/L) at
temperature ( °C): 3.793E-005 mg/L (25°C)

Reliability: (2) Reliable with restrictions. The result was


calculated based on chemical structure as modeled
by EPIWIN.

References: Meylan, W. and P. Howard (1995) Atom/fragment


contribution method for estimating octanol-water
partition coefficients. J. Pharm. Sci. 84:83-92.

EPIWIN (2000) Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

2.6.2 Surface tension

No data

2.7 Flash Point (Liquids)

Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method: ASTM D93


GLP: No data

Test Conditions: No data

Results

Value (°C): 154 °C


Type of test: Pensky-Martens closed cup tester

Reliability: (2) Reliable with restrictions. Test conducted by reliable


testing facility but data were not evaluated for quality.

Reference: Chevron Phillips Chemical Company Product Brochure, Company


test results, Chevron Phillips Chemical Company, The
Woodlands, TX.

2.8 Auto Flammability (Solids/Gases)

UNEP PUBLICATIONS 683


OECD SIDS 1-OCTADECENE
2. PHYSICO-CHEMICAL DATA ID: 112-88-9
DATE: 28.04.2005

Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method: No data
GLP: No

Test Conditions: No data

Results

Value (°C): 250 °C


Pressure (hPa): No data

Reliability: (2) Reliable with restrictions. Test conducted by reliable


testing facility but data were not evaluated for quality.

Reference: Chevron Phillips Chemical Company Product Brochure, Company


test results, Chevron Phillips Chemical Company, The
Woodlands, TX.

2.9 Flammability

Result: Non flammable


Method: Defined by flash point

2.10 Explosive Properties

Result: Not explosive


Method: Based on thermodynamic information

2.11 Oxidising Properties

Result: No oxidizing properties


Method: Based on structural formula

2.12 Oxidation-Reduction Potential

Not applicable

684 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 112-88-9
DATE: 28.04.2005
3.1 Stability

A. Photodegradation

(1) Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method/
guideline followed: Other: Technical discussion

Type: water
GLP: Not applicable
Year: Not applicable

Test Conditions: Not applicable

Results

Direct photolysis: In the environment, direct photolysis will


not significantly contribute to the degradation of
constituent chemicals in the Higher Olefins
Category.

Remarks: The direct photolysis of an organic molecule


occurs when it absorbs sufficient light energy to
result in a structural transformation (Harris,
1982a). The reaction process is initiated when
light energy in a specific wavelength range
elevates a molecule to an electronically excited
state. However, the excited state is competitive
with various deactivation processes that can
result in the return of the molecule to a non
excited state.

The absorption of light in the ultra violet (UV)-


visible range, 110-750 nm, can result in the
electronic excitation of an organic molecule.
Light in this range contains energy of the same
order of magnitude as covalent bond dissociation
energies (Harris, 1982a). Higher wavelengths (e.g.
infrared) result only in vibrational and
rotational transitions, which do not tend to
produce structural changes to a molecule.

The stratospheric ozone layer prevents UV light of


less than 290 nm from reaching the earth's
surface. Therefore, only light at wavelengths
between 290 and 750 nm can result in photochemical
transformations in the environment (Harris,
1982a). Although the absorption of UV light in the
290-750 nm range is necessary, it is not always
sufficient for a chemical to undergo photochemical
degradation. Energy may be re-emitted from an
excited molecule by mechanisms other than chemical
transformation, resulting in no change to the
parent molecule.

UNEP PUBLICATIONS 685


OECD SIDS 1-OCTADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 112-88-9
DATE: 28.04.2005
A conservative approach to estimating a
photochemical degradation rate is to assume that
degradation will occur in proportion to the amount
of light wavelengths >290 nm absorbed by the
molecule (Zepp and Cline, 1977).

Olefins with one double bond, such as the


chemicals in the Higher Olefins category, do not
absorb appreciable light energy above 290 nm. The
absorption of UV light to cause cis-trans
isomerization about the double bond of an olefin
occurs only if it is in conjugation with an
aromatic ring (Harris, 1982a).

Products in the Higher Olefins Category do not


contain component molecules that will undergo
direct photolysis. Therefore, this fate process
will not contribute to a measurable degradative
removal of chemical components in this category
from the environment.

Reliability: Not applicable

References: Harris J C (1982a). Rate of Aqueous Photolysis.


Chapter 8 in: W. J. Lyman, W. F. Reehl, and D. H.
Rosenblatt, eds., Handbook of Chemical Property
Estimation Methods, McGraw-Hill Book Company, New
York, USA.

Zepp, R. G. and D. M. Cline (1977). Rates of


Direct Photolysis in the Aqueous Environment,
Environ. Sci. Technol., 11:359-366.

(2) Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method/
guideline followed: Calculated values using AOPWIN version 1.91,
a subroutine of the computer program EIPWIN
version 3.11, which uses a program described
by Meylan and Howard, 1993.
Type: air
GLP: Not applicable
Year: Not applicable

Results

Indirect photolysis

Sensitiser (type): OH
Rate Constant: 47.1346 E-12 cm3/molecule-sec
Degradation % after: 50% after 2.723 hrs (using 12-hr day and
avg. OH conc. of 1.5 E6 OH/cm3)

686 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 112-88-9
DATE: 28.04.2005
Sensitiser (type): Ozone
Rate Constant: 1.2 E-17 cm3/molecule-sec
Degradation % after: 50% after 22.920 hrs (using avg. ozone conc.
of 7 E11 mol/cm3)

Reliability: (2) Reliable with restrictions. The value was


calculated data based on chemical structure as
modeled by EPIWIN. This robust summary has a
rating of 2 because the data are calculated and
not measured.

Flag: Critical study for SIDS endpoint

References: Meylan, W.M. and Howard, P.H. (1993) Computer


estimation of the atmospheric gas-phase reaction
rate of organic compounds with hydroxyl radicals
and ozone. Chemosphere 26: 2293-99

EPIWIN (2000) Estimation Program Interface for


Windows, version 3.11. EPI Suite™ software, U.S.
Environmental Protection Agency, Office of
Pollution Prevention and Toxics, U.S.A.

B. Stability in Water

Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method/
guideline followed: Other – Technical Discussion

Test Conditions: Not applicable

Results: Not applicable


Remarks: Hydrolysis of an organic molecule occurs when a molecule
(R-X) reacts with water (H2O) to form a new carbon-
oxygen bond after the carbon-X bond is cleaved (Gould,
1959; Harris, 1982b). Mechanistically, this reaction is
referred to as a nucleophilic substitution reaction,
where X is the leaving group being replaced by the
incoming nucleophilic oxygen from the water molecule.

The leaving group, X, must be a molecule other than


carbon because for hydrolysis to occur, the R-X bond
cannot be a carbon-carbon bond. The carbon atom lacks
sufficient electronegativity to be a good leaving group
and carbon-carbon bonds are too stable (high bond
energy) to be cleaved by nucleophilic substitution.
Thus, hydrocarbons, including alkenes, are not subject
to hydrolysis (Harris, 1982b) and this fate process will
not contribute to the degradative loss of chemical
components in this category from the environment.

Under strongly acidic conditions the carbon-carbon


double bond found in alkenes, such as those in the
Higher Olefins Category, will react with water by an

UNEP PUBLICATIONS 687


OECD SIDS 1-OCTADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 112-88-9
DATE: 28.04.2005
addition reaction mechanism (Gould, 1959). The reaction
product is an alcohol. This reaction is not considered
to be hydrolysis because the carbon-carbon linkage is
not cleaved and because the reaction is freely
reversible (Harris, 1982b). Substances that have a
potential to hydrolyze include alkyl halides, amides,
carbamates, carboxylic acid esters and lactones,
epoxides, phosphate esters, and sulfonic acid esters
(Neely, 1985).

The substances in the Higher Olefins Category are


primarily olefins that contain at least one double bond
(alkenes). The remaining chemicals are saturated
hydrocarbons (alkanes). These two groups of chemicals
contain only carbon and hydrogen. As such, their
molecular structure is not subject to the hydrolytic
mechanism discussed above. Therefore, chemicals in the
Higher Olefins Category have a very low potential to
hydrolyze, and this degradative process will not
contribute to their removal in the environment.

Conclusions: In the environment, hydrolysis will not contribute to


the degradation of 1-octadecene.

Reliability: Not applicable

References: Gould, E.S. (1959) Mechanism and Structure in Organic


Chemistry,
Holt, Reinhart and Winston, New York, NY, USA.

Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in:


W.J. Lyman, W.F. Reehl, and D.H. Rosenblatt, eds.,
Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.

Neely, W. B. (1985) Hydrolysis. In: W. B. Neely and G.


E. Blau, eds. Environmental Exposure from Chemicals. Vol
I., pp. 157-173. CRC Press, Boca Raton, FL, USA.

C. Stability In Soil

No data available

3.2 Monitoring Data (Environment)

No data available.

3.3 Transport and Distribution

3.3.1 Transport between environmental compartments

A. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Type: Fugacity models, Mackay Levels I and III

688 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 112-88-9
DATE: 28.04.2005

Remarks: Trent University model used for calculations. Half-lives in


water, soil and sediment estimated using EPIWIN (EPIWIN, 2000)

Chemical assumptions:

Molecular weight: 252


Water solubility: 0.0001508 g/m3
Vapor pressure: 0.009 Pa (25°C)
Log Kow: 9.04
Melting point: 18.3°C

Half-life in air = 4.4 hr, half-life in water = 360 hr, half-


life in soil = 360 hr, half-life in sediment = 1440 hr
Environment name: EQC Standard Environment

All other parameters were default values. Emissions for Level


I = 1000 kg. Level III model assumed continuous 1000 kg/hr
releases to each compartment (air, water and soil).

Results
Media: Air, soil, water and sediment concentrations were estimated

Level I Level III


Air <1% <1%
Water <1% 7.9%
Soil 97.5% 22.3%
Sediment 2.2% 69.6%

Remarks: Since default assumptions for release estimates were used,


resulting environmental concentrations are not provided.

Conclusions: These results indicated that 1-octadecene will partition


primarily to soil under equilibrium conditions (Level I
model), but primarily to sediment under the assumed pattern of
chemical release (equal loading of water, soil and air) in the
Level III model.

Reliability: (2) Valid with restrictions: Data are calculated.

Flag: Critical study for SIDS endpoint

References: Trent University (2004). Level I Fugacity-based Environmental


Equilibrium Partitioning Model (Version 3.00) and Level III
Fugacity-based Multimedia Environmental Model (Version 2.80.1.
Environmental Modeling Centre, Trent University, Peterborough,
Ontario. (Available at http://www.trentu.ca/cemc)

EPIWIN (2000). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

UNEP PUBLICATIONS 689


OECD SIDS 1-OCTADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 112-88-9
DATE: 28.04.2005
Type: Volatilization from water

Remarks: Calculated using the computer program EPIWIN version


3.11; based on
Henry’s Law Constant of 10.7 atm-m3/mole (estimated by
Bond SAR method using HENRYWIN program) and EPIWIN
default values

Results: Half-life from a model river: 1.622 hrs


Half-life from a model lake: 6.3 days

Reliability: (2) Valid with restrictions. Values are


calculated.

References: EPIWIN (2000). Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

3.3.2 Distribution

A. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method: Adsorption Coefficient (Koc) calculated value using the


computer program EPIWIN, PCKOC v 1.66, based on the
method of Meylan et al., 1992.

Test Conditions: Based on chemical structure

Results

Value: Estimated Koc = 2.308e+005

Reliability: (2) Reliable with restrictions. Value is calculated.

Reference: EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

B. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method: Henry’s Law Constant calculated value using the computer


program EPIWIN, HENRY v 3.10

Test Conditions: Bond and Group estimates based on chemical structure, at


25°C; VP/water solubility estimates based on EPIWIN
values of VP = 0.0000675 mm Hg and WS = 0.000151 mg/L.

Results

690 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 112-88-9
DATE: 28.04.2005

Value: Bond estimate = 10.7 atm-m3/mole


Group estimate = 33.8 atm-m3/mole
VP/Wsol estimate = 0.1487 atm-m3/mole

Reliability: (2) Reliable with restrictions. Values are calculated.

Reference: EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

3.4 Aerobic Biodegradation

A. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene (97.2%)

Remarks: Source: Shell Chemicals UK Ltd., Stanlow. Purity -


97.2%. Stability during use confirmed by infra-red
spectra. Density - 0.788 kg/L @ 20°C. Clear, colorless
liquid.

Method

Method/guideline: EEC Directive 84/449/EEC; Similar to OECD (301B)


Modified Sturm Test

Type: Aerobic [X ] Anaerobic [ ]

GLP: Yes

Year: 1985

Contact time: 41 days


Inoculum: Activated sludge

Test Conditions: Microorganisms were obtained from a fresh activated


sludge from Canterbury Sewage Works (UK) according to
standard test protocols. Test substance added to the
test medium from a stock solution containing 2.4 g/L
emulsified Dobane PT sulphonate. The final targeted
nominal test concentration was 20 mg 1-Octadecene/L.
Test medium was dispensed into Sturm vessels,
inoculated, then aerated with 60 ml/min of CO2-free air.
Vessels were incubated at 22±1°C for 41 days. The
extent of biodegradation was determined by titrating the
total CO2 released from the incubation on days 5, 7, 13,
16, 23, 28, 36, and 41. The medium was acidified on day
40 to release the total carbon dioxide by day 41.
Controls with mineral medium and microbial innoculum
(blank) were included.

Results: In the Modified Sturm Test, C18 linear alpha olefin was
degraded with 77-81% of the theoretical amount of carbon
dioxide being released in 28 days and 80-83% after 41
days. Although 1-Octadecene was biodegradable, 60%
degradation was not reached within 10 days, which is
required by the test guideline for “ready
biodegradability.”

UNEP PUBLICATIONS 691


OECD SIDS 1-OCTADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 112-88-9
DATE: 28.04.2005

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

Reference: Cook K. (1985) C18 Linear Alpha Olefin: An Assessment of


Ready Biodegradability. Shell Research Limited,
Sittingbourne Research Center. Shell Report #
SBGR.85.115 (unpublished report).

B. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene (97.2%)

Remarks: Source: Shell Chemicals UK Ltd., Stanlow. Purity -


97.2%. Stability during use confirmed by infra-red
spectra. Density - 0.788 kg/L @ 20°C. Clear, colorless
liquid.

Method

Method/guideline: EEC Directive 84/449/EEC; Similar to OECD (301D)


Closed Bottle Test

Type: Aerobic [X ] Anaerobic [ ]

GLP: Yes

Year: 1985

Contact time: 28 days


Inoculum: Activated sludge

Test Conditions: Microorganisms were obtained from Sittingbourne Sewage


Works (UK) and prepared according to standard test
protocols. Test substance added to the test medium from
a stock solution containing 2.4 g/L emulsified Dobane PT
sulphonate. The final test concentration was 3 mg 1-
Octadecene/L. Test bottles were incubated at 21±1°C and
the extent of biodegradation was determined by measuring
oxygen concentration in the bottles at days 5, 15, and
28. Controls with no microbial innoculum (control) and
with medium plus microbial innoculum only (blank) were
included. Sodium benzoate was used as a biodegradable
substance to demonstrate the activity of the microbial
innoculum.

Results: Under these conditions, 1-Octadecene was oxidized to 10-


41% of the theoretical oxygen demand by day 5 and 39-48%
by day 28. There was no significant inhibition of
microbial activity under the test conditions. These
results indicated that, although biodegradation
occurred, 1-Octadecene was not considered readily
biodegradable.

Reliability: (1) Reliable without restrictions

Reference: Cook K. (1985) C18 Linear Alpha Olefin: An Assessment of


Ready Biodegradability. Shell Research Limited,
Sittingbourne Research Center. Shell Report #
SBGR.85.115 (unpublished report).

692 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 112-88-9
DATE: 28.04.2005

C. Test Substance

Identity: CAS No. 26952-14-7 (Hexadecene, 49%) and 27070-58-2


(Octadecene 49%) with 2% C32-36 olefins as impurities;
double bond occurs at all locations along the carbon
chain; 20-30% methyl branching

Method

Method/guideline: ISO "Marine BODIS" ISO/TC 147/SC 5/WG 4N 1415


Type: Aerobic [X ] Anaerobic [ ]
GLP: No
Year: 1995
Contact time: 28 days
Inoculum: None

Test Conditions: This method used natural seawater fortified with mineral
nutrients and no inoculum was added in addition to the
microorganisms already present in the seawater.

The test vessels were closed glass bottles with a known


volume of aqueous test mixture (66.6%) and air (33.3%).
They were shaken continuously to assure steady state
oxygen partitioning between the aqueous and gaseous
phase. The degradation was followed by weekly
measurements of the BOD in the aqueous phase for a 28-
day period. The test vessels were re-aerated and
resealed after measurement. The total oxygen uptake in
the test flasks was calculated from the measured oxygen
concentration divided by the saturation value at normal
conditions and multiplied with the total oxygen content
originally present in the aqueous and gaseous phases.

Three replicates were used for each test condition:


test substance, controls, and insoluble reference
substance. The total oxygen capacity of each test vessel
was 26.64 mg oxygen. Sodium benzoate was used as the
soluble reference substance at a concentration of 20 mg
of theoretical oxygen demand (ThOD) per test vessel.

An inert support medium, chromatography silica powder,


was used to provide a large and controlled surface area
for the poorly-soluble test substance and reference
substance (an olefin oil) The silica powder and test
material were made into a homogenate and added to the
test vessel before addition of the test medium. One gram
of support medium containing 20 mg of ThOD of test
substance or insoluble reference substance was used for
each test vessel. The ThOD for the test substance was
0.34 mg oxygen/mg and the addition rate was 4 mg/test
vessel.

The following controls were included: Background oxygen


consumption in test medium, background oxygen
consumption in test medium with clean silica powder.

Validity criteria stated: Temperature = 19-21°C,


soluble reference is >60% in 14 days, and cumulative
blank oxygen consumption is <30% of oxygen initially

UNEP PUBLICATIONS 693


OECD SIDS 1-OCTADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 112-88-9
DATE: 28.04.2005
available. The reference insoluble material is expected
to achieve 25-45% in 28 days.

Results: The test material achieved 48% biodegradation in 28


days.

Kinetic of
Test substance: 7 day = 19 %
14 day = 31 %
21 day = 44 %
28 day = 48 %

Kinetic of control
Substance
(Sodium benzoate): 14 day = 58 %
28 day = 85 %

Reliability: (2) Reliable with restrictions: This study does not meet
the validity criteria stated in the report. The soluble
reference, sodium benzoate, only achieved 58%
degradation by Day 14, instead of 60%.

Reference: Environment & Resource Technology Ltd. (1999)


Assessment of ready aerobic degradability of C16/C18
isomerized olefin base fluid in seawater. Study No. 074-
9. Conducted for Chevron Chemical Company (unpublished
report).

D. Test Substance

Identity: CAS Nos. C20=182636-03-9, C22=182636-04-0, C24=182636-


05-1; C20-24 Alkenes, Branched and Linear (even-numbered
carbons only)
( <1% C18’s, 40-44% C20’s, 35-39% C22’s, 18-22% C24’s,
<1% C26’s; >70% branched)

Method

Method/guideline: OECD 301B Modified Sturm Test (CO2 evolution)

Type: Aerobic [X ] Anaerobic [ ]

GLP: Yes

Year: 1998

Contact time: 28 days


Inoculum: Sewage sludge, predominantly domestic
Concentration: 10 mg/L related to DOC (Dissolved Organic Carbon)
11.6 mg/L related to test substance
Statistical methods: Not available

Test Conditions: A study was performed to assess the ready


biodegradability of the test material in an aerobic
aqueous medium. Approximately 24 hours prior to
addition of the test and standard materials the vessels
were filled with culture medium and inoculum (30 mg
suspended solids/L), and aerated overnight. Test medium
consisted of distilled water and mineral salts
(phosphate buffer, ferric chloride).

694 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 112-88-9
DATE: 28.04.2005
Test vessels were sealed 5 L glass flasks containing 3 L
of solution and CO2-free air bubbled through the
solution at a rate of approximately 40 mL/min and
stirred continuously by magnetic stirrer.

Test material was prepared by direct dispersion in


culture media and tested in triplicate. Control and
standard material (sodium benzoate) in were tested in
duplicate. The test material was exposed to sewage
sludge microorganisms at a concentration of 10 mg C/L
with culture medium in sealed culture vessels in the
dark at 21ºC for 28 days. The standard material (sodium
benzoate) concentration was also 10 mg C/L. Auxiliary
solvents or surfactants were not used to aid or enhance
solubility. Samples were taken on days 0, 1, 2, 3, 6, 8,
10, 12, 14, 16, 18, 20, 22, 24, 27, 28 and 29.

The degradation of the test material was assessed by the


determination of carbon dioxide produced. CO2 was
measured by injecting samples into the inorganic carbon
channel of the TOC analyzer.

The validation criteria for this study were:

The standard material yields >=60% degradation by day


14.

The test material may be considered to be readily


biodegradable if >=60% degradation is attained after 28
days. This level of degradation must be reached within
10 days of biodegradation exceeding 10%.

The toxicity control should attain >=25% degradation by


day 14 for the test material to be considered as non-
inhibitory.

The difference of the extremes of replicate values of


production of CO2 at the end of the test is less than
20%.

The total CO2 evolution in the control vessels at the


end of the test should not normally exceed 40 mg/L
medium.

The Inorganic Carbon content of the test material in the


culture media must be less than 5% of the Total Carbon
on day 0.

Results

Degradation %: 92% after 28 days

Results: Readily biodegradable

Kinetic of
Test substance: 1 day = 4%
3 day = 15%
10 day = 53%
16 day = 83%
28 day = 92%

UNEP PUBLICATIONS 695


OECD SIDS 1-OCTADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 112-88-9
DATE: 28.04.2005
Control substance: Benzoic acid, sodium salt

Kinetic: 14 day = 96%


28 day = 100%

Breakdown Product: not measured

Remarks: The test material attained a total of 92% degradation


after 28 days and met the 10-day window validation
criterion whereby greater than 60% degradation must be
attained within 10 days of the degradation exceeding
10%. Toxicity control attained 100% degradation after
28 days confirming that the test material was not toxic
to sewage treatment microorganisms used in the study.
All validity criteria required were achieved; therefore,
C20-24 Alkenes, Branched and Linear can be considered to
be readily biodegradable under the strict terms and
conditions of OECD Guideline No. 301B.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

Reference: Handley, JW and Mead C (1998). C20-24 alkenes, branched


and linear: Assessment of ready biodegradability; CO2
evolution test, SafePharm Laboratories Limited, Project
No. 703/127. Conducted for Chevron Research and
Technology Company (unpublished report).

E. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method/guideline: Estimated using the computer program EPIWIN v


3.10, BIOWIN v 4.00

Type: Aerobic

Test Conditions: Estimates use methods described by Howard et al., 1992;


Boethling et al., 1994; and Tunkel et al., 2000.
Estimates are based upon fragment constants that were
developed using multiple linear and non-linear
regression analyses.

Results: Linear model prediction: Biodegrades fast


Non-linear model prediction: Biodegrades fast
Ultimate biodegradation timeframe: Weeks
Primary biodegradation timeframe: Days
MITI linear model prediction: Biodegrades fast
MITI non-linear model prediction: Biodegrades fast

Reliability: (2) Reliable with restriction: Results are


estimated

696 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 112-88-9
DATE: 28.04.2005
Reference: Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J.
Beaumann and N. Tirado (1994) Group contribution method
for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.

Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M.


Meylan, A.E. Hueber, J.A. Beauman and M.E. Larosche
(1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data.
Environ. Toxicol. Chem. 11:593-603.

Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and


H. Loonen (2000) Predicting ready biodegradability in
the MITI Test. Environ. Toxicol. Chem. (accepted for
publication)

EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

F. Test Substance

Identity: CAS Nos. C24=182636-05-1, C26=182636-06-2, C28=182636-


07-3, C30=182636-08-4: C24-30 Alkenes, Branched and
Linear

Remarks: even-numbered carbons only (<55% C24, <40% C26, <15%


C28, <30% C30; >70% branched)

Method

Method/guideline: OECD 301B Modified Sturm Test (CO2 evolution)

Type: Aerobic [X ] Anaerobic [ ]

GLP: Yes

Year: 2000

Contact time: 28 days


Inoculum: Sewage sludge, predominantly domestic
Concentration: 10 mg/L related to DOC (Dissolved Organic Carbon)
17.1 mg/L related to test substance
Dilution water
Chemistry: Reagents recommended in the OECD guidelines were
dissolved in deionized and reverse-osmosis purified
water. pH was approximately 7.4. No further information
is available.
Statistical methods: Not available

Test Conditions: A study was performed to assess the ready


biodegradability of the test material in an aerobic
aqueous media. The test material was exposed to sewage
sludge microorganisms at a concentration of 10 mg C/L
with culture medium in sealed culture vessels in the
dark at 21ºC for 28 days. Following the recommendations
of the International Standards Organization, the test
material was adsorbed onto granular silica gel prior to
dispersion in the test medium in order to aid dispersion
of the test material in the test medium and to increase

UNEP PUBLICATIONS 697


OECD SIDS 1-OCTADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 112-88-9
DATE: 28.04.2005
the surface area of the test material exposed to the
test organisms. Silica gel was added to the control and
standard material vessels in order to maintain
consistency between these vessels and the test material
vessels. The degradation of the test material was
assessed by the determination of carbon dioxide
produced. Control solutions with inoculum and the
standard material, sodium benzoate, together with a
toxicity control, were used for validation purposes.

The validation criteria for this study were:

The standard material yields >=60% degradation by day


14.

The test material may be considered to be readily


biodegradable if >=60% degradation is attained after 28
days. This level of degradation must be reached within
10 days of biodegradation exceeding 10%.

The toxicity control should attain >=25% degradation by


day 14 for the test material to be considered as non-
inhibitory.

The difference of the extremes of replicate values of


production of CO2 at the end of the test is less than
20%.

The total CO2 evolution in the control vessels at the


end of the test should not normally exceed 40 mg/L
medium.

The Inorganic Carbon content of the test material in the


culture media must be less than 5% of the Total Carbon
on day 0.

Results

Degradation %: 51% after 28 days

Results: Not readily biodegradable

Kinetic of
Test substance: 1 day = 2%
3 day = 23%
10 day = 35%
16 day = 38%
28 day = 51%

Control substance: Benzoic acid, sodium salt

Kinetic: 14 day = 71%


28 day = 85%

Breakdown Product: not measured

Remarks: The test material attained a total of 51% degradation


during the test. The toxicity control attained 51%
degradation after 14 days confirming that the test
material was not toxic to sewage treatment

698 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 112-88-9
DATE: 28.04.2005
microorganisms used in the study. C24-30 Alkenes,
Branched and Linear cannot be considered to be readily
biodegradable under the strict terms and conditions of
OECD Guideline No. 301B

Reliability: (1) Reliable without restrictions

Reference: Mead C (2000). C24-30 alkenes, branched and linear:


Assessment of ready biodegradability; CO2 evolution
test, SafePharm Laboratories Limited, Project No.
703/214. Conducted for Chevron Research and Technology
Company (unpublished report).

3.5 BOD5, COD or ratio BOD5/COD

No data available

3.6 Bioaccumulation

Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

Method

Method: BCF calculated value using the computer program EPIWIN, BCF v
2.15

Test Conditions: Based on chemical structure and Log Kow (estimated as 9.04 by
EPIWIN), using methods of Meylan et al., 1999. Formula used to
make BCF estimate: Log BCF = -1.37 log Kow +14.4 + correction
(alkyl chains [8+ -CH2- groups] with a value of -1.5).

Results

Value: Estimated Log BCF = 0.509 (BCF = 3.226)

Reliability: (2) Reliable with restrictions. Value is calculated.

Reference: Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved


method for estimating bioconcentration / bioaccumulation
factor from octanol/water partition coefficient. Environ.
Toxicol. Chem. 18(4): 664-672.

EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and Toxics,
U.S.A.

3.7 Additional Information

A. Sewage Treatment

Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

UNEP PUBLICATIONS 699


OECD SIDS 1-OCTADECENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 112-88-9
DATE: 28.04.2005
Test Method: Calculated, EPIWIN STP Fugacity Model, predicted
fate in a wastewater treatment facility.
Input values: MW = 252.49; VP = 6.75 E-5 mmHg; Henry’s LC =
10.7 atm-m3/mol; air-water partition coefficient =
437.598; Log Kow = 9.04; biomass to water
partition coefficient = 2.19296E+008; temperature
= 25°C
GLP: No
Test Medium: Secondary waste water treatment (water)
Test Type: Aerobic

Test Results: 95 % removed from wastewater treatment

Reliability: (2) Reliable with restrictions: Value was calculated.

Reference: EPIWIN (2000) Estimation Program Interface for Windows,


version 3.11. EPI Suite™ software, U.S. Environmental
Protection Agency, Office of Pollution Prevention and
Toxics, U.S.A.

700 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
4. ECOTOXICITY ID: 112-88-9
DATE: 28.04.2005
4.1 Acute Toxicity to Fish

A. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene (C18 linear alpha


olefin)

Remarks: Source: Shell Chemicals UK Ltd., Stanlow.


Stability during use confirmed by infra-red
spectra. Density - 0.788 kg/L @ 20°C. Clear,
colorless liquid.

Method

Method/guideline: Similar to OECD 203


Test type: 96-h acute toxicity test (daily static renewal)
GLP: Yes [X ] No [ ]
Year: 1985
Species/Strain: Salmo gairdneri/RT44/Zeals Fish Farm, Wolverton,
Wiltshire
Analytical Monitoring: No
Exposure period: 96 hours
Statistical methods: Visual inspection

Test Conditions: Fingerlings were obtained from Zeals Fish Farm (UK) and
allowed to acclimate to test conditions for more than 10
days prior to exposure. Fish used for testing had an
average mean length of 5.4 cm and a mean weight of 2.0
g. Five glass aquariums were obtained and filled with
20 L of filtered (8 µm), dechlorinated laboratory water.
Each exposure solution was prepared by adding known
quantities of 1-Octadecene to four of the five test
aquariums. This resulted in nominal concentrations of
0, 100, 200, 500, and 1000 mg 1-Octadecene/L. The
aquarium with no 1-Octadecene served as the untreated
control. Ten S. gairdneri, previously acclimated to
test water, were placed in each test chamber and exposed
for 96 hours. Test concentrations were renewed daily.
Test waters were gently aerated and organisms were not
fed during the 96 hour exposure duration. Water
temperatures were maintained between 13.5 and 16.5°C,
while pH, hardness and dissolved oxygen ranged from 8.0-
8.3 s.u., 220-280 mg/L as CaCO3, and 8.8-10.4 mg/L,
respectively.

Results:

Nominal
concentrations: 100, 200, 500, 1000 mg/L
Measured
concentrations: Not measured
Element value: LC0 at 96 hrs > solubility; LL0 = 1000 mg/L (nominal)

Remarks: The acute toxicity of C18 linear alpha olefin (1-


Octadecene) to rainbow trout fingerling, Salmo
gairdneri, was determined in an acute toxicity test
(daily static renewal) with nominal exposures to 100,
200, 500 and 1000 mg 1-Octadecene/L, concentration which
are above the water solubility limit. Undissolved test
substance was observed at the surface at all

UNEP PUBLICATIONS 701


OECD SIDS 1-OCTADECENE
4. ECOTOXICITY ID: 112-88-9
DATE: 28.04.2005
concentrations. No mortality was observed at any
concentration tested during the 96 h test duration.
Therefore, the 96 h LL0 for S. gairdneri fingerlings was
1000, the highest concentration tested.

Reliability: (2) Reliable with restrictions. The study was conducted


under GLPs and can be considered a guideline study.
However, 1-Octadecene was tested at concentrations above
the water solubility limit and concentrations were not
verified by analysis. Toxicity endpoint was expressed as
the initial nominal concentration.

References: Pearson N. (1985) C18 Linear Alpha Olefin (1-


Octadecene): Acute Toxicity (Salmo gairdneri, Daphnia
magna and Selenastrum capricornutum) and n-octanol/water
coefficient. Shell Research Limited, Sittingbourne
Research Center. Shell Report # SBGR.85.059 (unpublished
study).

B. Test Substance

Identity: CAS No. 26952-14-7 (Hexadecene, 49%) and 27070-58-2


(Octadecene 49%) with 2% C32-36 olefins as impurities;
double bond occurs at all locations along the carbon
chain; 20-30% methyl branching

Method

Method/guideline: OECD 203


Test type: Semi-static Fish Acute Toxicity Test
GLP: Yes [X ] No [ ]
Year: 1995
Species/Strain: Scopthalmus maximus
Analytical Monitoring: no
Exposure period: 96 hours
Statistical methods: Not specified

Test Conditions: Based on range-finding data, the definitive test (semi-


static) was conducted on 5 dose levels (loading levels
of 1000, 1800, 3200, 5600, and 10000) and a control.
Actual concentrations in test media were not measured.
Juvenile turbot of approximately 3cm in length were used
in all tests. Fish supplied by Mannin Seafarms Ltd.
(Scotland) were maintained in controlled conditions of
approximately 18 °C with constant illumination. The pH
ranged from 7.8 to 8.3. The dissolved oxygen ranged from
85% to 98%. The tests were conducted in 14L capacity
moulded soda-lime glass tanks containing 10 liters of
test media (1 µm filtered UV treated seawater) . The
test material was added directly to the appropriate tank
and the test medium was replaced at 48 hours. A single
vessel was used per test concentration and gentle
aeration was supplied. Ten animals were exposed per
test concentration for 96 hours with observations being
conducted at 24 hour intervals.

Results: After 96 hours, no mortality was observed at the maximum


dose level of 10,000 mg/L (loading levels), therefore,
the LC 50 was greater than solubility; the LL0 was
10,000 mg/L.

702 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
4. ECOTOXICITY ID: 112-88-9
DATE: 28.04.2005

Reliability: (2) Reliable with restrictions. The study was conducted


under GLPs and can be considered a guideline study.
However, the test substance was tested at
concentrations above the water solubility limit and
concentrations were not verified by analysis. Toxicity
endpoint was expressed as the initial nominal
concentration. Also, constant illumination was used
during the study instead of the recommended 12-16 hour
photoperiod.

References: Environment & Resource Technology Ltd. (1997)


Assessment of the aquatic-phase toxicity of C16-C18
Alpha Olefin Isomerized Base Fluid to the marine fish,
Scopthalmus maximus, Study No. 074-5-1. Conducted for
Chevron Chemical Company (unpublished report).

C. Test Substance

Identity: CAS No. 93924-10-8, C20-24 Alpha Olefin

Remarks: Composition: <47% C20, <35% C22, <26% C24, <3% C18, <1%
C16; 89.3% linear, 8.3% branched

Method

Method/guideline: OECD 203


Test type: 96 hour semistatic toxicity test
GLP: Yes
Year: 1993
Species/Strain: Rainbow trout (Oncorhynchus mykiss)
Analytical Monitoring: Yes
Exposure period: 96 hr
Statistical methods: As there were no mortalities, statistical methods
were not warranted

Test Conditions: The water accommodated fraction (WAF) was prepared


by mixing 1000 mg/l of GULFTENE 20-24 with water. The
mixture was stirred on magnetic stirrers for 24 hours at
14°C and then allowed to settle for approximately 1
hour. The WAF was then withdrawn via a siphon prior to
dilution to the required exposure levels and testing.

Water samples were taken from the control and each


exposure level at 0 hours for test concentration
verification. The concentrations were analyzed using an
Ionics TC/TOC Analyser Model 555. Since the values
obtained at 0 hours demonstrated that Total Carbon
(dissolved) values for the exposure media were no higher
than the control level, analysis was not carried out at
other time points.

Juvenile fish were obtained from Westacre Trout Farm,


Norfolk, U.K. The mean standard length, determined by
measuring the control fish at the end of the exposure
period, was 5.1 cm (SD = 0.5 cm) and the mean weight was
1.73 g (SD = 0.51 g). Groups of ten fish (5 test
concentrations plus one control) were exposed for 96
hours to dilution series of a single WAF of GULFTENE 20-
24 (100 % WAF equivalent to 1000 mg/L). Animals were

UNEP PUBLICATIONS 703


OECD SIDS 1-OCTADECENE
4. ECOTOXICITY ID: 112-88-9
DATE: 28.04.2005
placed at random in glass aquaria containing prepared
test media or diluent water only. Each vessel contained
20 L of medium to a depth of 19 cm (approx. dimensions
of vessel: 25x46x25 cm). This provided an initial
loading of 0.87 g b.w./L (static volume). Supplementary
aeration was provided. Temperature was maintained at 13-
14°C. Photoperiod: 16 hr light: 8 hr dark. Fish were not
fed during the exposure period. pH ranged from 7.6 to
8.2. Dissolved oxygen ranged from 9.9 to 10.2 mg O2/L.
The test concentrations were 10, 18, 32, 56, and 100%
WAF. Observations were made on the numbers of dead fish
and the incidence of sub-lethal effects after 3, 6, 24,
72 and 96 hours exposure.

Results: LC50 (96 hr) > solubility;


LL0 = 1000 mg/L loading rate WAF

Remarks: There were no mortalities observed during the study.


Slight loss of equilibrium and lethargy were observed at
the 100% WAF (1000 mg/L) only.

TOC analysis values obtained at 0 hours demonstrated


that Total Carbon (dissolved) values for the exposure
media were no higher than those for the control level.
Thus, actual concentrations were negligible.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint

References: Huntingdon Research Centre (1993) Gulftene 20-24 (water


accommodated fraction) acute toxicity to rainbow trout,
Project CHR 46(D)/930361. Conducted for Chevron
Research and Technology Company (unpublished report).

D. Test Substance

Identity: CAS Nos. C20=182636-03-9, C22=182636-04-0, C24=182636-


05-1; C20-24 Alkenes, Branched and Linear (even-numbered
carbons only)
( <1% C18’s, 40-44% C20’s, 35-39% C22’s, 18-22% C24’s,
<1% C26’s; >70% branched)

Method

Method/guideline: OECD 203


Test type: 96 hour semi-static toxicity test
GLP: Yes
Year: 1998
Species/Strain: Rainbow trout (Oncorhynchus mykiss)
Analytical Monitoring: Yes
Exposure period: 96 hr
Statistical methods: Moving average method of Thompson (1947)

Test Conditions: A study was performed to assess the acute toxicity of


the test material, C20-24 Alkenes, Branched and Linear,
to rainbow trout. Following a preliminary range-finding
study, fish were exposed, in three groups of ten, to a
Water Accommodated Fraction (WAF) of the test material
for a period of 96 hours. A semi-static test regime was

704 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
4. ECOTOXICITY ID: 112-88-9
DATE: 28.04.2005
employed in the study involving a daily renewal of the
test preparations to ensure that the concentrations of
the test material remained near nominal and to prevent
the build up of nitrogenous waste products. The WAF was
prepared by placing the test material on the surface of
water to give a 1000 mg/L loading rate which was then
stirred with a magnetic stirrer to achieve a vortex
depth of approximately 5% of the distance to the bottom
of the vessel, for 24 hours. The mixture was then
allowed to stand for 4 hours prior to removing the
aqueous phase or WAF by siphon. Test vessels were 20 L
glass aquaria containing 20 L of test solution. Each
vessel was covered to reduce evaporation after 10 fish
were added and maintained at 14ºC in a temperature-
controlled room with a 16-hour light and 8-hour dark
cycle. Dissolved oxygen ranged from 9.4 to 9.7 mg/L for
fresh solutions and 8.6 to 8.8 for old solutions. The
pH ranged from 7.4 to 7.5 for fresh solutions and 7.2 to
7.4 for old solutions. The vessels received no
auxiliary aeration.

Analysis of the WAF was carried out by Total Organic


Carbon (TOC) analysis on samples from each of two
replicate vessels of the treated and the control media
at the beginning and end of the first 24 hours of the
test.

Dilution water chemistry: approximately 100 mg/L (as


CaCO3) total hardness; 1.5 mg C/L total organic carbon
content; 0.20 mg/L particulate matter; pH 7.6; ≥ 9.2
mg/L dissolved oxygen.

Fish supplied by Brow Well Fisheries Ltd, Phoenix


Cottage, Hebden, Nr. Skipton, UK, were juvenile (≤ 3
months). A mean weight and length were 0.88 g and 4.2
cm, respectively at the end of the study. Based on the
mean weight value, loading rate was 0.44 g bodyweight/L.

The number of mortalities and any adverse reactions to


exposure in each test and control vessel were determined
3 and 6 hours after the start of exposure and then daily
throughout the study until termination after 96 hours.
Duplicate control groups were maintained under identical
conditions but not exposed to the test material.

Results:

LC50: > solubility at 96 hrs; the LL0 was 1000 mg/L loading
rate WAF at 96 hrs

Remarks: In the Range-finding study the results showed no


mortalities at the 10, 100, and 1000 mg/L loading rate
WAF's.

The results of the definitive study showed that the


highest loading rate WAF (1000 mg/L) produced 0%
mortality and no adverse effects.

UNEP PUBLICATIONS 705


OECD SIDS 1-OCTADECENE
4. ECOTOXICITY ID: 112-88-9
DATE: 28.04.2005
The results of the TOC analysis showed that, compared to
the controls, no significant levels of carbon were
detected in the WAFs. Thus, actual concentrations were
negligible.

The 96-hour median Lethal Loading Rate (LLR50) for the


test material to rainbow trout (Oncorhynchus mykiss),
based on nominal loading rates, was greater than 1000
mg/L loading rate WAF and, correspondingly, the No
Observed Effect Concentration was greater than
solubility. The LL0 was 1000 mg/L loading rate WAF.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint

References: Handley JW, Sewell IG, and Bartlett AJ (1998) C20-24


Alkenes, Branched and Linear: Acute Toxicity To Rainbow
Trout, SafePharm Laboratories Limited Project
No.703/123. Conducted for Chevron Research and
Technology Company (unpublished report).

4.2 Acute Toxicity to Aquatic Invertebrates (e.g. Daphnia)

A. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene; C18 linear alpha olefin

Remarks: Source: Shell Chemicals UK Ltd., Stanlow. Stability


during use confirmed by infra-red spectra. Density -
0.788 kg/L @ 20°C. Clear, colorless liquid.

Method

Method/guideline: Similar to OECD 202


Test type: 48-h acute toxicity test (static)
GLP: Yes
Year: 1985
Analytical Monitoring: No
Species/Strain: Daphnia magna
Supplier: Strain obtained from I.R.Ch.A., France
Exposure period: 48 hrs
Statistical methods: Visual inspection

Test Conditions: Quantities of 1-Octadecene were added to 140-mL flasks


so that, when brought to 140 ml final volume with a
reconstituted freshwater, nominal concentrations equaled
100, 200, 500 and 1000 mg 1-Octadecene/L. Flasks were
prepared in triplicate and three flasks served as
untreated laboratory controls. Ten Daphnia magna (less
than 24 h old) were placed in each test flask. To
minimize the risk of these organisms becoming trapped at
the surface, black plastic caps were placed just beneath
the water surface to create a darkened zone that D.
magna would avoid. The numbers of immobilized D. magna
were recorded after 24 and 48 hours. Test temperatures
ranged between 18-22°C, pH ranged from 7.8 to 8.0 s.u.
and dissolved oxygen concentrations ranged between 8.6

706 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
4. ECOTOXICITY ID: 112-88-9
DATE: 28.04.2005
and 9.0 mg/L. The total hardness of the reconstituted
laboratory water was 170 mg/L as CaCO3.

Results:

Nominal
Concentrations: 100, 200, 500, and 1000 mg/L
Measured
Concentrations: Not measured
Element value: EC50 at 48 hrs > solubility; the EL50 was >1000 mg/L
(nominal)

Remarks: Concentrations of 100, 200, 500, and 1000 mg 1-


Octadecene/L were not completely soluble and were
visible at the surface as floating globules.

The acute toxicity of C18 linear alpha olefin to the


crustacean zooplankter, Daphnia magna, was determined in
a static acute toxicity test with nominal concentrations
which were above the water solubility limit. Undissolved
test substance was observed at the surface at all
concentrations. Less than 4% of D. magna were
immobilized during 48 h exposure to 1000 mg/L of the
olefin, the highest nominal concentration tested. The
24 and 48 h EL50 values were therefore both greater than
1000 mg/L.

Reliability: (2) Reliable with restrictions. The study was conducted


under GLPs and can be considered a guideline study.
However, 1-octadecene was tested at concentrations above
the water solubility limit and concentrations were not
verified by analysis. Toxicity endpoint was expressed as
the initial nominal concentration.

References: Pearson N. (1985). C18 Linear Alpha Olefin (1-


Octadecene): Acute Toxicity (Salmo gairdneri, Daphnia
magna and Selenastrum capricornutum) and n-octanol/water
coefficient. Shell Research Limited, Sittingbourne
Research Center. Shell Report # SBGR.85.059.

B. Test Substance

Identity: CAS Nos. C20=182636-03-9, C22=182636-04-0, C24=182636-


05-1; C20-24 Alkenes, Branched and Linear (even-numbered
carbons only)
( <1% C18’s, 40-44% C20’s, 35-39% C22’s, 18-22% C24’s,
<1% C26’s; >70% branched)

Method

Method/guideline: OECD 202


Test type: 48-h aqueous toxicity test (static)
GLP: Yes
Year: 1998
Analytical Monitoring: Yes
Species/Strain: Daphnia magna
Supplier: Strain obtained from I.R.Ch.A., France
Exposure period: 48 hrs

UNEP PUBLICATIONS 707


OECD SIDS 1-OCTADECENE
4. ECOTOXICITY ID: 112-88-9
DATE: 28.04.2005
Statistical methods: No specifics noted

Test Conditions: A study was performed to assess the acute toxicity of


the test material, C20-24 Alkenes, Branched and Linear,
to Daphnia magna. Following a preliminary range-finding
study, forty daphnids (4 replicates of 10 animals) were
exposed to a Water Accommodated Fraction (WAF) of the
test material for 48 hours under static test conditions.
The WAF was prepared by placing the test material on the
surface of the water to give a 1000 mg/L loading rate
which was then stirred by magnetic stirrer to achieve a
vortex depth of approximately 5% of the distance to the
bottom of the vessel for 24 hours. The mixture was then
allowed to stand for 4 hours prior to removing the
aqueous phase or WAF by siphon. Test vessels were 250
mL glass jars containing approximately 200 mL of test
solution. Each vessel was covered to reduce evaporation
and maintained at 21ºC in a temperature-controlled room
with a 16-hour light and 8-hour dark cycle. Dissolved
oxygen was from 8.2 to 8.4 mg/L for fresh solutions and
8.1 for old solutions. The pH was 7.9 for fresh and old
solutions. The vessels received no auxiliary aeration.

Analysis of the WAF was carried out by Total Organic


Carbon (TOC) analysis on the test preparation at 0 and
48 hours.

Daphnia magna were supplied by the Institute National de


Recherché Chimique Appliquée, France. Adult daphnia
were maintained in polypropylene vessels and each
culture was fed daily with a suspension of mixed algae.
Culture conditions ensured that reproduction was by
parthenogenesis. Gravid adults were isolated 24 hours
prior to the initiation of the study, the young daphnids
produced overnight were then removed for testing.

Immobilization and any adverse reactions to exposure


were recorded after 24 and 48 hours. Replicate control
groups were maintained under identical conditions but
not exposed to the test material.

Results

Element value: 48 hr EC50 > solubility; EL0 = 1000 mg/L loading rate
WAF at 48 hrs

Remarks: In the Range-finding study the results showed no


immobilization at the 10, 100, and 1000 mg/L loading
rate WAF.

In the Definitive study, there was no immobilization in


40 daphnids exposed to a 1000 mg/L loading rate WAF for
a period of 48 hours. Therefore, the 48-hour median
Effective Loading Rate (ELR50) for the test material to
Daphnia magna, based on nominal loading rates, was
greater than 1000 mg/L loading rate WAF; and,
correspondingly, the No Observed Effect Concentration,
based upon zero immobilization at this concentration,
was greater than or equal to 1000 mg/L loading rate WAF.

708 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
4. ECOTOXICITY ID: 112-88-9
DATE: 28.04.2005

The results of the TOC analysis showed that, compared to


the controls, no significant levels of carbon were
detected in the WAFs. Thus, actual concentrations were
negligible.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Handley JW, Wetton PM, and Bartlett AJ (1998) C20-24


Alkenes, Branched and Linear: Acute Toxicity To Daphnia
Magna, SafePharm Laboratories Limited Project No.
703/124. Conducted for Chevron Research and Technology
Company (unpublished report).

4.3 Toxicity to Aquatic Plants (e.g. Algae)

A. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene; C18 linear alpha olefin

Remarks: Source: Shell Chemicals UK Ltd., Stanlow. Stability


during use confirmed by infra-red spectra. Density -
0.788 kg/L @ 20°C. Clear, colorless liquid.

Method

Method/guideline: Similar to OECD 201


Test type: 4-day growth inhibition test (static)
GLP: Yes [X ] No [ ]
Year: 1985
Analytical Monitoring: No
Species/Strain: Selenastrum capricornutum
Source: ATCC 22662/American Type Culture Collection,
Maryland, USA.
Element basis: 500 cells/ml
Exposure period: 72 hrs
Statistical methods: Visual inspection

Test Conditions: S. capricornutum were obtained from the axenic


laboratory culture derived from a strain obtained from
the American Type Culture Collection (Maryland, USA).
Sixteen Erlenmeyer flasks containing 50 ml of culture
medium were prepared. Quantities of 1-Octadecene in
Analar Acetone were added to ten vessels to obtain
nominal concentrations of 1.0, 2.2, 4.6, 10, 22, 46,
100, 220, 460, and 1000 mg 1-Octadecene/L. The
remaining six flasks received no 1-Octadecene, however,
acetone concentrations in all flasks (including the
controls) were adjusted to 0.1 mg/L.

Each flask was inoculated with S. capricornutum to an


initial concentration of 500 cells/mL. Flasks were
incubated at 100 cycles/min under constant illumination
(approximately 3000 lux). Tests temperatures ranged
from 22-26°C and pH of test solutions ranged from 7.4-
7.7 s.u.

UNEP PUBLICATIONS 709


OECD SIDS 1-OCTADECENE
4. ECOTOXICITY ID: 112-88-9
DATE: 28.04.2005
Results:

Nominal
Concentrations: 1.0, 2.2, 4.6, 10, 22, 46, 100, 220, 460 and 1000 mg/L
Measured
Concentrations: Not measured
Element value: EC50 at 96 hrs > solubility; EL 0 = 1000 mg/L; NOEC =
1000 mg/L (nominal)

Remarks: The acute toxicity of C18 Linear Alpha Olefin to the


planktonic algae, Selenastrum capricornutum, was
determined in a 4 day growth test with nominal
concentrations that were above the water solubility
limit. Undissolved test substance was observed at the
surface at 10 mg/L and above. None of the concentrations
of the olefin tested caused a reduction in cell number
at day 4 compared to the mean cell number at day 4 in
the controls. The 96 h NOEC was therefore 1000 mg/L
(nominal) and the 96 h EL0 was therefore 1000 mg/L, the
highest concentration tested.

Reliability: (2) Reliable with restrictions. The study was conducted


under GLPs and can be considered a guideline study.
However, 1-octadecene was tested at concentrations above
the water solubility limit, and concentrations were not
verified by analysis. Toxicity endpoint was expressed as
the initial nominal concentration.

References: Pearson N. (1985) C18 Linear Alpha Olefin (1-


octadecene): Acute Toxicity (Salmo gairdneri, Daphnia
magna and Selenastrum capricornutum) and n-octanol/water
coefficient. Shell Research Limited, Sittingbourne
Research Center. Shell Report # SBGR.85.059 (unpublished
report).

B. Test Substance

Identity: CAS No. 93924-10-8, C20-24 Alpha Olefin

Remarks: Composition: <47% C20, <35% C22, <26% C24, <3% C18, <1%
C16; 89.3% linear, 8.3% branched

Method

Method/guideline: OECD 201


Test type: static
GLP: Yes [X ] No [ ]
Year: 1993
Analytical Monitoring: Yes
Species/Strain: Selenastrum capricornutum
Element basis: Growth rate, area under curve
Exposure period: 72 hrs
Statistical methods: Not specified

Test Conditions: Algae were originally obtained from the Culture Centre
of Algae & Protozoa c/o Freshwater Biological
Association, Cumbria, U.K. Sterile nutrient medium (as
recommended in OECD Guideline 201) was inoculated from a

710 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
4. ECOTOXICITY ID: 112-88-9
DATE: 28.04.2005
master culture and incubated under continuous
illumination (~7000 lux) and stirring (orbital shaker)
at 24°C to give an algal suspension in log phase growth
characterized by an absorbance of 0.870 @ 665 nm.

The water accommodated fraction (WAF) was prepared by


mixing 1000 mg/l GULFTENE 20-24 with water. The mixture
was stirred on a magnetic stirrer for 24 hours at 24°C
and then allowed to settle for approximately 1 hour.
The WAF was then withdrawn via a siphon and 100ml was
measured into 250ml conical flasks. Flasks were
prepared and 2ml of a concentrated algal suspension of
Selenastrum capricornutum, (0.870 absorbance @ 665 nm)
were added to each flask in order to produce the correct
starting cell density. Algal cultures were exposed to 6
replicates of a single WAF of GULFTENE 20-24 (100% WAF
equivalent to 1000 mg/L). Flasks were loosely
stoppered. The exposed cultures plus one control (6
replicates) were incubated without media renewal on an
orbital shaker (120 cycles/min) under continuous
illumination (~7000 lux) at 24°C for 72 hours. Growth
was monitored daily by measuring the absorbance of each
culture at 665 nm. The cell densities at initiation and
termination for the control were determined by direct
counting with a haemocytometer.

Water samples were taken from the control and each


exposure level at 0 hours for test concentration
verification. The concentrations were analyzed using an
Ionics TC/TOC Analyser Model 555. Since the values
obtained at 0 hours demonstrated that Total Carbon
(dissolved) values for the exposure media were no higher
than the control level, analysis was not carried out at
other time points.

Results:

Element value: EbC50 > solubility at 72 hrs


ErC50 > solubility at 72 hrs
NOEC = 1000 mg/L loading rate WAF at 72 hrs
EL0 = 1000 mg/L loading rate WAF at 72 hrs

Remarks: The mean cell density of the control at 0 hours was 8.25
x 10[4] cells/ml and at 72 hours was 2.78 x 10[6]
cells/ml. All test and control cultures were inspected
microscopically at 72 hours. There were no abnormalities
detected. The TOC values obtained at 0 hours
demonstrated that Total Carbon (dissolved) values for
the exposure media were no higher than those of the
control level; thus, the actual concentrations were
negligible.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint

References: Huntingdon Research Centre (1993) Gulftene 20-24 (water


accommodated fraction) Algal Growth Inhibition, Project
No. CHR 46(A)/930362. Conducted for Chevron Research
and Technology Company (unpublished report).

UNEP PUBLICATIONS 711


OECD SIDS 1-OCTADECENE
4. ECOTOXICITY ID: 112-88-9
DATE: 28.04.2005

C. Test Substance

Identity: CAS Nos. C20=182636-03-9, C22=182636-04-0, C24=182636-


05-1; C20-24 Alkenes, Branched and Linear (even-numbered
carbons only)
( <1% C18’s, 40-44% C20’s, 35-39% C22’s, 18-22% C24’s,
<1% C26’s; >70% branched)

Method

Method/guideline: OECD 201


Test type: static
GLP: Yes [X ] No [ ]
Year: 1998
Analytical Monitoring: Yes
Species/Strain: Algae (Pseudokirchneriella subcapitata,
formerly known as Selenastrum capricornutum)
Element basis: Growth rate
Exposure period: 96 hrs
Statistical methods: Student’s t-test

Test Conditions: A study was performed to assess the effect of the test
material, C20-24 Alkenes, Branched and Linear, on the
growth of Pseudokirchneriella subcapitata (formerly
Selenastrum capricornutum). Following a preliminary
range-finding study, Pseudokirchneriella subcapitata was
exposed to a Water Accommodated Fraction (WAF) of the
test material (six replicate flasks) for 96 hours under
constant illumination (intensity approximately 7000 Lux)
and shaking at a temperature of 24ºC.

The WAF was prepared by dispersing the test material


onto the surface of 2 L of culture medium to give a 2000
mg/L loading rate which was then stirred to achieve a
vortex depth of approximately 5% of the distance to the
bottom of the vessel for 24 hours. The mixture was then
allowed to stand for 4 hours prior to removing the
aqueous phase or WAF by siphon. An aliquot (500 mL) of
the WAF was mixed with algal suspension (500 mL) to give
the test concentration of 1000 mg/L loading rate WAF.
Test vessels were 250 mL glass conical flasks containing
approximately 100 mL of test solution, covered with
aluminum foil to reduce evaporation. Analysis of the WAF
was carried out by Total Organic Carbon (TOC) analysis
on samples from two replicate vessels of treated and
control media at the beginning and end of the test.

Liquid cultures of Pseudokirchneriella subcapitata were


obtained from the Culture Centre for Algae and Protozoa
(CCAP), Institute of Freshwater Ecology, Ferry House,
Ambleside, Cumbria. At initiation of the study the
culture contained a nominal cell density of 10000 cells
per mL.

Samples of the algal populations were removed daily, and


algal cell concentrations were determined, using an
electronic cell counter, for each control and treatment
group. Triplicate control groups were maintained under
identical conditions but not exposed to the test

712 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
4. ECOTOXICITY ID: 112-88-9
DATE: 28.04.2005
material.

A Student's t-test was carried out on the area under the


growth curve data at 96 hours for the control and 1000
mg/L loading rate WAF test concentration to determine
any statistically significant differences between the
test and control groups.

Results

Element value: EC50 at 96 hrs > solubility; EL0 = 1000 mg/L loading
rate WAF
NOEC at 96 hrs = 1000 mg/L loading rate WAF

Remarks: In the Range-finding study the results showed no effect


on growth at either concentration, 100 or 1000 mg/L WAF.

From the results of the definitive study neither the


growth or the biomass of Pseudokirchneriella subcapitata
(formerly Selenastrum capricornutum) were affected by
the presence of the test material over the 96-hour
exposure period.

All test and control cultures were inspected


microscopically at 96 hours. There were no
abnormalities detected in any of the control or test
cultures.

Exposure of Pseudokirchneriella subcapitata (formerly


Selenastrum capricornutum) to the test material gave
median Effective Loading Rate zero (EL0) values of
1000 mg/L loading rate WAF and, correspondingly, the No
Observed Effect Concentration was 1000 mg/L loading rate
WAF.

The results of the TOC analysis showed that, compared to


the controls, no significant levels of carbon were
detected in the WAFs. Thus, actual concentrations were
negligible.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint

References: Handley JW, Mead C, and Bartlett AJ (1998) C20-24 Alkenes,


Branched and Linear: Algal Inhibition Test, SafePharm
Laboratories Limited Project No. 703/125. Conducted for
Chevron Research and Technology Company (unpublished
report).

4.4 Toxicity to Micro-organisms, e.g. Bacteria

A. Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

UNEP PUBLICATIONS 713


OECD SIDS 1-OCTADECENE
4. ECOTOXICITY ID: 112-88-9
DATE: 28.04.2005
Method

Method: 79/931/EEC, Annex V, According to Degradability,


Ecotoxicity, and Bioaccumulation, TNO, Delft, The
Netherlands, 1977
GLP: No
Species: Pseudomonas fluorescens
Exposure
Period: 6 hours
Analytical
Monitoring: No data

Test Conditions: The test material was dissolved in ethanol to give a


stock solution containing 500 g/l of 1-octadecene.
Dilutions of the stock solution in test medium were made
such that the final concentrations were 1000, 320, 100,
32 and 10 mg/l. Sodium pentachlorophenate was used as a
standard inhibitory substance. Controls containing the
microbial inoculum and no inhibitory substances were used
to assess the logarithmic growth rate of the organisms
under non-inhibitory conditions. Growth curves were
constructed of the optical density of the inoculated
media versus time and the rate determined as the slope
of the exponential growth phase.

% inhibition = growth rate control- growth rate test x 100


growth rate control

Results: EC50 >1000 mg/L

Remarks: The standard substance, sodium pentachlorophenate


inhibited with an EC50=31.5 mg/l while the test
substance caused no significant inhibition at
concentrations up to 1000 mg/l.

Reliability: (1) Reliable without restriction

Reference: Watkinson, R.J. (1985) C18 Linear Alpha Olefin: An


Assessment of Ready Biodegradability. Shell Research
Limited, Sittingbourne Research Center. Shell Report #
SBGR.85.115 (unpublished report).

B. Test Substance

Identity: CAS Nos. C20=182636-03-9, C22=182636-04-0, C24=182636-


05-1; C20-24 Alkenes, Branched and Linear (even-numbered
carbons only)
( <1% C18’s, 40-44% C20’s, 35-39% C22’s, 18-22% C24’s,
<1% C26’s; >70% branched)

Method

Method : OECD 209


GLP: Yes
Type: Aquatic, aerobic
Year: 1997

714 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
4. ECOTOXICITY ID: 112-88-9
DATE: 28.04.2005
Species: Sewage sludge micro-organisms
Exposure Period: 3 hours
Analytical
Monitoring: No

Test Conditions: A study was performed to assess the effect of the test
material on the respiratory rate of sewage sludge micro-
organisms under aerobic conditions. The activated sewage
sludge sample was maintained on continuous aeration at
21°C and used on the day of collection. The pH was 7.6 and
suspended solids equal to 3.6 g/L. Test water was
dechlorinated laboratory tap water with total hardness of
~ 100 mg/L as CaCO3. Synthetic sewage (g/L water): 16
peptone, 11 meat extract, 3 urea, 0.7 g NaCl, 0.4
CaCl2.2H20, 0.2 MgSo4.7H2O, 2.8 K2HPO4.

A rangefinding study was conducted with concentrations of


100 and 1000 mg/L. For the definitive study, test
material (500 mg) was dispersed in ~ 250 ml water in a
conical flask and ultrasonicated for ~ 30 min. Synthetic
sewage (16 ml), activated sewage sludge (200 ml,
predominantly domestic sewage) and water were added to a
final volume of 500 ml to give a concentration of 1000
mg/L. The mixture was aerated with compressed air via
narrow bore glass tubes at a rate of ~ 0.5-1 L/min. The
study with 3 replicates was conducted at 21oC under normal
laboratory lighting for 3 hours. Duplicate controls
consisted of inoculum exposed to the synthetic sewage
sludge and water. Control solutions with inoculum and the
standard material (3,5-dichlorophenol, 3.2, 10 and 32
mg/L) were used for validation purposes.

Respiration rates were determined by measuring oxygen


consumption at 30 minutes and 3 hours. An aliquot was
poured into a BOD bottle and the rate of respiration
measured using a Yellow Springs dissolved oxygen meter
fitted with a BOD probe. The rate of respiration for each
flask was measured over the linear portion of the oxygen
consumption trace for an approx. 10 min period (between ~
8.5 mg O2/L and 1.4 mg O2/L).

To calculate the inhibitory effect of the test and


reference materials, the respiration rate was expressed
as a percentage of the 2 control respiration rates.
Percentage inhibition was plotted against concentration
and the EC50 values derived by inspection of the graph.
The results of the study were considered valid if (1) the
2 control respiration rates were within 15% of each other
and (2) the EC50 (3-hr contact time) for 3.5-
dichlorophenol lay within the range 5-30 mg/L.

Results:

EC50 of test material: >1000 mg/L at 30 min and 3 hr


EC50 of standard: 16 mg/L at 30 min and 11 mg/L at 3 hr
NOEC of test material: >1000 mg/L

Remarks: Under the conditions of the test, the test material did
not inhibit the respiration rate of activated sewage
sludge. The validation criteria were satisfied.

UNEP PUBLICATIONS 715


OECD SIDS 1-OCTADECENE
4. ECOTOXICITY ID: 112-88-9
DATE: 28.04.2005
Reliability: (1) Reliable without restrictions

Reference: Mead, C. (1998) C20-24 Alkenes, Branched and Linear:


Activated Sludge Respiration Inhibition OECD 209.
Conducted by Safepharm Laboratories, Ltd., Project No.
703/126. Report to Chevron Research and Technology
Company (unpublished report).

4.5 Chronic Toxicity to Aquatic Organisms

No data available

4.6 Toxicity to Terrestrial Organisms

A. Toxicity to Terrestrial Plants.

No data available

B. Toxicity to Soil Dwelling Organisms.

No data available

C. Toxicity to Other Non Mammalian Terrestrial Species (including Avian)

No data available

4.7 Biological EffectsMonitoring (including Biomagnification)

No data available

4.8 Biotransformation and Kinetics

No data available

4.9 Additional Information

No data available

716 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
5.1 Toxicokinetics, Metabolism and Distribution

No data available.

5.2 Acute Toxicity

A. Acute oral toxicity

(1) Test Substance

Identity (purity): C14-18 Alpha Olefin

Remarks: Blend of CAS No. 1120-36-1, 1-Tetradecene; CAS No.


629-73-2, 1-Hexadecene; CAS No. 112-88-9, 1-
Octadecene (proportions unknown)

Method

Method/guideline: 16 CFR 1500.3 (c)(2)(i)


Type (test type): LD50
GLP: No
Year: 1977
Species/Strain: Rat/CFE
Sex: Male and female
No. of animals per
sex per dose: 5

Vehicle: None specified


Route of
administration: Oral gavage

Test Conditions: Ten healthy CFE rats (5M:5F) with body weights
averaging approximately 250 grams were used to
determine the oral toxicity of the test sample.
Animals were fasted approximately 18 hours prior
to dosing but had ready access to water. Each rat
received a single oral dose of 10 grams/kg body
weight of test compound by gastric intubation.
Animals were observed for mortality and body
weight changes for 14 days post-dosing. All
surviving animals were sacrificed and necropsies
were performed.

Results:

Value: LD50 > 10 g/kg


Number of deaths
at each dose level: No deaths were observed

Remarks:

UNEP PUBLICATIONS 717


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
Sex Initial Body Final Body
Weight Weight
M 277 320
M 262 319
M 272 334
M 273 346
M 262 317
F 230 264
F 228 248
F 227 262
F 217 276
F 236 268

All rats dosed with 10 grams/kg body weight


survived the 14-day observation period. No signs
of intoxication were seen during the observation
period. The oral LD50 for the test material was
determined to be greater than 10 grams/kg body
weight. Body weight gain was within normal limits.

Gross autopsy findings revealed blanched and


mottled kidneys in most rats.

Under the conditions of the test, the study


material is not considered to be a toxic substance
when administered by the oral route.

Reliability: (2) Reliable with restrictions Age of animals and


analytical composition was not reported

Flag: Key study for SIDS endpoint.

References: Toxicology Evaluation of Ethyl Compound 100-606


(1977) Gulf South Research Institute P.O. Box 1177
New Iberia, LA 70560 (unpublished report).

(2) Test Substance

Identity (purity): C18-C24 Alpha Olefin

Remarks: Blend of CAS No. 112-88-9, 1-Octadecene; CAS No.


3452-07-1, 1-Eicosene; CAS No. 1599-67-3, 1-
Docosene; CAS No. 10192-32-2, 1-Tetracosene
(proportions unknown)

Method

Method/guideline: 16 CFR 1500.3 (c)(2)(i)


Type (test type): LD50
GLP: No
Year: 1977
Species/Strain: Rat/CFE
Sex: Male and female
No. of animals per
sex per dose: 5

Vehicle: None specified


Route of

718 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
administration: Oral gavage

Test Conditions: Ten healthy CFE rats (5M:5F) with body weights
averaging approximately 250 grams were used to
determine the oral toxicity of the test sample.
Animals were fasted approximately 18 hours prior
to dosing but had ready access to water. Each rat
received a single oral dose of 10 grams/kg body
weight of test compound by gastric intubation.
Animals were observed for mortality and body
weight changes for 14 days post-dosing. All
surviving animals were sacrificed and necropsies
were performed.

Results:

Value: LD50 > 10 g/kg


Number of deaths
at each dose level: No deaths were observed

Remarks:
Sex Initial Body Final Body
Weight Weight
M 265 330
M 265 299
M 276 338
M 272 319
M 272 335
F 248 284
F 223 257
F 247 282
F 206 232
F 222 244

All rats dosed with 10 grams/kg body weight


survived the 14-day observation period. No signs
of intoxication were seen during the observation
period. The oral LD50 for the test material was
determined to be greater than 10 grams/kg body
weight. Body weight gain was within normal limits.

Gross autopsy findings revealed blanched and


mottled kidneys in most rats.

Under the conditions of the test, the study


material is not considered to be a toxic substance
when administered by the oral route.

Reliability: (2) Reliable with restrictions Age of animals at


the start of study and analytical composition were
not reported.

Flag: Key study for SIDS endpoint.

References: Toxicology Evaluation of Ethyl Compound 100-527


(1977) Gulf South Research Institute P.O. Box 1177
New Iberia, LA 70560 (unpublished report).

UNEP PUBLICATIONS 719


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
(3) Test Substance

Identity (purity): C18-C26 Alpha Olefin

Remarks: Blend of CAS No. 112-88-9, 1-Octadecene; CAS No.


3452-07-1, 1-Eicosene; CAS No. 1599-67-3, 1-
Docosene; CAS No. 10192-32-2, 1-Tetracosene; CAS
No. 18835-33-1, 1-Hexacosene (proportions unknown)

Method

Method/guideline: 16 CFR 1500.3 (c)(2)(i)


Type (test type): LD50
GLP: No
Year: 1977
Species/Strain: Rat/CFE
Sex: Male and female
No. of animals per
sex per dose: 5

Vehicle: None specified


Route of
administration: Oral gavage

Test Conditions: Ten healthy CFE rats (5M:5F) with body weights
averaging approximately 250 grams were used to
determine the oral toxicity of the test sample.
Animals were fasted approximately 18 hours prior
to dosing but had ready access to water. Each rat
received a single oral dose of 10 grams/kg body
weight of test compound by gastric intubation.
Animals were observed for mortality and body
weight changes for 14 days post-dosing. All
surviving animals were sacrificed and necropsies
were performed.

Results:

Value: LD50 > 10 g/kg


Number of deaths
at each dose level: No deaths were observed

Remarks:
Sex Initial Body Final Body
Weight Weight
M 289 358
M 290 342
M 264 313
M 283 340
M 279 296
F 218 248
F 222 257
F 224 260
F 234 266
F 219 262

All rats dosed with 10 grams/kg body weight


survived the 14-day observation period. No signs
of intoxication were seen during the observation
period. The oral LD50 for the test material was

720 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
determined to be greater than 10 grams/kg body
weight. Body weight gain was within normal limits.

Gross autopsy findings revealed blanched and


mottled kidneys in most rats.

Under the conditions of the test, the study


material is not considered to be a toxic substance
when administered by the oral route.

Reliability: (2) Reliable with restrictions. Age of test


animals and analytical composition not reported.

References: Toxicology Evaluation of Ethyl Compound 100-494


(1977) Gulf South Research Institute P.O. Box 1177
New Iberia, LA 70560 (unpublished report).

(4) Test Substance

Identity (purity): CAS 27070-58-2, Octadecene (C18 Alpha


Olefin, Isomerized >98%, 20-30% branched, double
bond randomized along carbon chain)

Method

Method/guideline: EPA OPP 81-1


Type (test type): LD50
GLP: Yes [X ] No [ ]
Year: 1993
Species/Strain: Rat/HSD:SD
Sex: Males and females
No. of animals per
sex per dose: 5

Vehicle: None
Route of
administration: Oral gavage

Test Conditions: Single doses of 5050 mg/kg of undiluted test


material were administered intragastrically to
groups of 5 male and 5 female fasted albino rats
(young adults, 211-228 g [males], 194-208 g
[females]). Animals were observed for 14 days.
Individual body weights were recorded on Days 0,
7, and 14. A gross necropsy was performed on each
animal at the termination of the study.
Statistical methods were not used.

Results:

Value: LD50 > 5050 mg/kg


Number of deaths
at each dose level: No deaths at 5050 ml/kg

Remarks: No deaths were observed. All animals gained weight


during the study. Signs of toxicity included
diarrhea in 1 male at 3 hours, and piloerection
and polyuria in all animals, which were no longer
evident in 4/5 males and 5/5 females by Day 5. One
male exhibited piloerection until Day 11. The

UNEP PUBLICATIONS 721


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
gross necropsy conducted on all animals at
termination of the study revealed no observable
abnormalities in any of the animals. The acute
oral LD50 was greater than 5050 mg/kg.

Reliability: (1) Reliable without restrictions

References: Stillmeadow, Inc. (1993) C18 Alpha Olefin,


Isomerized: Acute Oral Toxicity Study in Rats,
Study No. 0486-93. Conducted for Chevron Chemical
Company (unpublished report).

(5) Test Substance

Identity (purity): CAS No. 93924-10-8, C20-24 Alpha Olefin


Fraction (carbon number C18 = max.5%; carbon
number C20 = 45-60%; carbon number C22 = 30-50%;
carbon number C24 = max.15%; carbon number C26 =
max.1%)

Method

Method/guideline: Experimental
Type (test type): LD50
GLP: No
Year: 1990
Species/Strain: Conventional rat/Wistar
Sex: Males and females
No. of animals per
sex per dose: 10

Vehicle: Olive oil


Route of
administration: Oral gavage

Test Conditions: Single doses of 15.85 g/kg of test material


diluted with olive oil (20% formulation) were
administered intragastrically to groups of young
adult rats, 140-160 g. Animals were observed for
14 days. A gross necropsy was performed on each
animal at the termination of the study.

Results:

Value: LD50 > 15 g/kg


Number of deaths
at each dose level: No deaths at 15.85 g/kg

Remarks: No signs of toxicity were seen. All animals gained


weight during the study. The gross necropsy
conducted on all animals at termination of the
study revealed no observable abnormalities in any
of the animals. The sample is nontoxic.

Reliability: (1) Reliable without restrictions

References: Research Institute of Organic Synthesis a.s (1990)


Pardubice, Czech republic, Test No. T2102
(unpublished report).

722 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005

(6) Test Substance

Identity (purity): CAS No. 93924-10-8, C20-24 Alpha Olefin


(GULFTENE 20-24; Composition: <47% C20, <35% C22,
<26% C24, <3% C18, <1% C16) ; 89.3% linear, 8.3%
branched

Method

Method/guideline: Not specified


Type (test type): LD50
GLP: Yes [X ] No [ ]
Year: 1982
Species/Strain: Rat/Fischer 344
Sex: Males and females
No. of animals per
sex per dose: 5

Vehicle: corn oil


Route of
administration: Oral gavage

Test Conditions: Animals were 14-19 weeks of age at study


initiation. The test material was warmed to 37oC,
diluted to 50% (w/v) with laboratory grade corn
oil, and a dose equivalent to 5000 mg/kg of test
substance was administered orally to 5 male and 5
female fasted rats. The animals received dose
volumes of 2 ml/100g body weight. Body weights
were recorded on Day 0 prior to dosing and on Days
7 and 14. All animals were observed for 14 days
and a gross necropsy performed at study
termination. No statistical analyses were
performed.

Results:

Value: LD50 > 5000 mg/kg


Number of deaths
at each dose level: No deaths at 5000 mg/kg

Remarks: Clinical signs were limited to yellow staining of


the inguinal region, oil around the mouth, and
brown staining of the lower jaw; all had cleared
by Day 5. No adverse findings were noted at
necropsy. Throughout the study, no adverse
effects were noted in body weight gains. The acute
oral LD50 is greater than 5000 mg/kg.

Reliability: (1) Reliable without restrictions

References: Gulf Life Sciences Center (1982) Acute Oral


Toxicity Test in Albino Rats Using Alpha Olefin
Fraction C20-24, Report No. 82-030 (unpublished
report).

UNEP PUBLICATIONS 723


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
(7) Test Substance

Identity (purity): CAS Nos. C20=182636-03-9, C22=182636-04-0,


C24=182636-05-1; C20-24 Alkenes, Branched and
Linear (even-numbered carbons only)
( <1% C18’s, 40-44% C20’s, 35-39% C22’s, 18-22%
C24’s, <1% C26’s; >70% branched)

Method

Method/guideline: OECD 401


Type (test type): LD50
GLP: Yes [X ] No [ ]
Year: 1998
Species/Strain: Sprague-Dawley CD (Crl:CD®BR)
Sex: Males and females
No. of animals per
sex per dose: 5

Vehicle: None
Route of
administration: Oral gavage
Statistical Methods: The acute oral median lethal dose (LD50) was
calculated by an accepted method, e.g. Weil
(1952), Litchfield and Wilcoxon (1949), Finney
(1971) or Thompson (1947)’s method. Where possible
LD50 values and 95% confidence limits were
calculated for males and females separately.

Test Conditions: The test material was administered by oral gavage


as a single limit dose of 5000 mg/kg body weight
to a group of 10 fasted animals, 5 males and 5
females. Individual bodyweights were recorded
prior to dosing on Day 0 and on Days 7 and 14 or
at death. At the start of the main study the
males weighed 206 to 222 g and the females 205 to
222 g and were approximately eight to twelve weeks
old. Surviving animals were observed for 14 days
after dosing and then sacrificed. All animals
were subjected to a gross necropsy. The specific
gravity of the test material was 0.796 and the
dose volume was adjusted accordingly. This dose
level was selected based upon data derived from a
range-finding study of 1 male and 1 female.

Results:

Value: LD50 > 5000 mg/kg


Number of deaths
at each dose level: One female was found dead one day after
dosing.

Remarks: Surviving animals recovered 1 - 3 days after


dosing. Clinical observations noted in all
animals during the day of dosing were hunched
posture and pilo-erection. Decreased respiratory
rate and laboured respiration were noted in one
female during the day of dosing. Hunched posture
persisted in six animals (2 males and 4 females)
one day after dosing, with ataxia noted in two
females and tiptoe gait in one female. Hunched

724 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
posture was noted in two females two days after
dosing.

Abnormalities noted at necropsy of the female that


died during the study were hemorrhagic lungs, dark
liver and dark kidneys. No abnormalities were
noted at necropsy of animals that were killed at
the end of the study. Surviving animals showed
expected gain in bodyweight during the study.

Reliability: (1) Reliable without restrictions

References: Driscoll R (1998) C20-24 Alkenes, Branched and


Linear: Acute Oral Toxicity Study in The Rat,
SafePharm Laboratories Limited Project No.
703/116. Conducted for Chevron Research and
Technology Company (unpublished report).

B. Acute inhalation toxicity

Test Substance

Identity (purity): C16-C18 Alpha Olefin (CAS No. 629-73-2, 1-


Hexadecene; CAS No. 112-88-9, 1-Octadecene)
(proportion unknown)

Method

Method/guideline: Not specified


Type (test type): LC50
GLP: Yes [ ] No [X ]
Year: 1973
Species/Strain: Rat/Sprague-Dawley
Sex: Males
No. of animals per
sex per dose: 10

Vehicle: None
Route of
administration: Inhalation

Test Conditions: Ten male rats weighing between 200 and 300 g were
exposed for 1 hour or 4 hours to saturated vapor at
ambient temperature of the test substance and observed
for 14 days. The number of animals per group was not
reported. The animals were observed for toxic signs
during exposure and during the 14-day observation
period. On the 14th day, they were sacrificed for the
determination of gross pathological changes.

The inhalation atmosphere was generated by bubbling


chamber air through undiluted test material. Air flow
was 2.9 L/min. Nominal concentrations were reported as
>0 mg/L for the one hour exposure and >0.06 mg/L for the
4-hour exposure. No further experimental details were
reported.

Results:

UNEP PUBLICATIONS 725


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
Value: LC50 > the saturated vapor concentration for one and
four hour exposures
Number of deaths
at each dose level: None

Remarks: There were no signs of toxicity during exposure or


during the 14-day observation period. Necropsy did not
reveal any gross pathological changes.

Reliability: (4) Not assignable: Only limited details of procedures


were reported.

References: Ethyl Corporation (1973) (unpublished report).

C. Acute dermal toxicity

(1) Test Substance

Identity (purity): C18-C24 Alpha Olefin

Remarks: Blend of CAS No. 112-88-9, 1-Octadecene; CAS No.


3452-07-1, 1-Eicosene; CAS No. 1599-67-3, 1-
Docosene; CAS No. 10192-32-2, 1-Tetracosene
(proportions unknown)

Method

Method/guideline: 16 CFR 1500.40 & CFR 1500.3 (c)(1)(ii) (c) (2)


(iii)
Type (test type): LD50
GLP: No
Year: 1977
Species/Strain: Rabbits/New Zealand White
Sex: Males and females
No. of animals
per sex per dose: 3

Vehicle: None specified


Route of
administration: Dermal

Test Conditions: Six healthy New Zealand albino rabbits (3M:3F)


were used to evaluate the toxicity of the test
material following dermal application of 10
grams/kg body weight. Prior to application of test
material, the animals were prepared by shaving the
application site and abrading the skin every two
to three centimeters longitudinally over one-half
the exposure area. Test material was held in
contact with the skin by means of saran wrap
covered with brown paper for 24 hours. Animals
were observed for mortality and general behavior
for 14 days post dosing. On the 14th day all
surviving animals were sacrificed and necropsies
were performed.

Results:

Value: LD50 > 10 g/kg


Number of deaths

726 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
at each dose level: None

Remarks:
Sex Initial Body Final body
weight weight
M 2400 2600
M 2700 3300
M 2300 2850
F 2600 2550
F 2600 3150
F 2300 2800

All rabbits dosed with 10 grams/kg body weight


survived the 14-day observation period. The dermal
LD50 for the test material was determined to be
greater than 10 grams/kg body weight. Five out of
the six animals had satisfactory weight gain
during the study. One female rabbit had a slight
decrease in body weight. Under the conditions of
the test, the study material is not considered to
be a toxic substance when administered by the
dermal route.

Reliability: (2) Reliable with restrictions age of animals and


compositional analysis not reported

Flag: Key study for SIDS endpoint

Reference: Toxicology Evaluation of Ethyl Compound 100-527


(1977) Gulf South Research Institute P.O. Box 1177
New Iberia, LA (unpublished report).

(2) Test Substance

Identity (purity): C18-C26 Alpha Olefin

Remarks: Blend of CAS No. 112-88-9, 1-Octadecene; CAS No.


3452-07-1, 1-Eicosene; CAS No. 1599-67-3, 1-
Docosene; CAS No. 10192-32-2, 1-Tetracosene; CAS
No. 18835-33-1, 1-Hexacosene (proportions unknown)

Method

Method/guideline: 16 CFR 1500.40 & CFR 1500.3 (c)(1)(ii) (c) (2)


(iii)
Type (test type): LD50
GLP: No
Year: 1977
Species/Strain: Rabbits/New Zealand White
Sex: Males and females
No. of animals
per sex per dose: 3

Vehicle: None specified


Route of
administration: Dermal

Test Conditions: Six healthy New Zealand albino rabbits (3M:3F)


were used to evaluate the toxicity of the test
material following dermal application of 10

UNEP PUBLICATIONS 727


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
grams/kg body weight. Prior to application of test
material, the animals were prepared by shaving the
application site and abrading the skin every two
to three centimeters longitudinally over one-half
the exposure area. Test material was held in
contact with the skin by means of saran wrap
covered with brown paper for 24 hours. Animals
were observed for mortality and general behavior
for 14 days post dosing. On the 14th day all
surviving animals were sacrificed and necropsies
were performed.

Results:

Value: LD50 > 10 g/kg


Number of deaths
at each dose level: None

Remarks:
Sex Initial Body Final Body
weight weight
M 2550 3000
M 2800 3150
M 2450 2950
F 2400 2950
F 2200 2800
F 2350 2750

All rabbits dosed with 10 grams/kg body weight


survived the 14-day observation period. The dermal
LD50 for the test material was determined to be
greater than 10 grams/kg body weight. All six
animals had satisfactory weight gain during the
study. Under the conditions of the test, the study
material is not considered to be a toxic substance
when administered by the dermal route.

Reliability: (2) Reliable with restrictions. Age of animals and


compositional analysis was not reported

Reference: Toxicology Evaluation of Ethyl Compound 100-494


(1977) Gulf South Research Institute P.O. Box 1177
New Iberia, LA (unpublished report).

(3) Test Substance

Identity (purity): CAS 27070-58-2, Octadecene (C18 Alpha


Olefin, Isomerized >98%, 20-30% branched, double
bond randomized along carbon chain)

Method

Method/guideline: EPA OPP 81-2


Type (test type): LD50
GLP: Yes
Year: 1993
Species/Strain: Rabbit/New Zealand white
Sex: Males and females
No. of animals

728 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
per sex per dose: 5

Vehicle: None
Route of
administration: Dermal

Test Conditions: The objective of this study was to determine the


acute dermal toxicity potential of the test
material. Each animal was prepared on the day
prior to treatment by clipping the dorsal surface
of the trunk free of hair to expose not less than
10% of the total body surface area. Five albino
rabbits of each sex (young adult [3-6 mos]
weighing 2.400-2.725 kg [males] and 2.400-2.950 kg
[females]) were treated with a single dermal
application of 2020 mg/kg of undiluted test
material for 24 hours. The treated area was
covered with gauze and a semi-permeable dressing
(orthopedic stockinette) to retard evaporation of
volatile substances and to prevent possible
ingestion of the test material. After 24 hours
the wrappings and gauze were removed from the
animals. The exposed areas were gently washed
with room temperature tap water and a clean wet
cloth was used to remove as much remaining test
material as possible. Animals were observed for
pharmacologic and/or toxicologic signs including
signs of dermal irritation frequently throughout
the study. Individual body weights were recorded
on Days 0, 7, and 14. A gross necropsy was
conducted on each animal at the termination of the
study. Statistical methods were not used.

Results:

Value: LD50 > 2020 mg/kg


Number of deaths
at each dose level: There were no mortalities

Remarks: Four animals of each sex lost weight or failed to


gain weight between Days 7 and 14. A single
female animal had diarrhea on Days 9 and 10. The
gross necropsy conducted on each animal at
termination of the study revealed no observable
abnormalities in any of the animals. The acute
dermal LD50 was greater than 2020 mg/kg.

Reliability: (1) Reliable without restrictions

References: Stillmeadow, Inc. (1993) Acute Dermal Toxicity


Study in Rabbits, Study No. 0487-93. Conducted
for Chevron Chemical Company (unpublished report).

(4) Test Substance

Identity (purity): CAS No. 93924-10-8, C20-24 Alpha


Olefin Fraction (carbon number C18 = max.5%;
carbon number C20 = 45-60%; carbon number
C22 = 30-50%; carbon number C24 = max.15%;
carbon number C26 = max.1%)

UNEP PUBLICATIONS 729


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005

Method

Method/guideline: Experimental
Type (test type): LD50
GLP: No
Year: 1990
Species/Strain: Conventional Rat, Wistar
Sex: Males
No. of animals
per sex per dose: 5

Vehicle: None
Route of
administration: Dermal

Test Conditions: Sample was applied at a quantity of 5ml/kg on the


shaved skin, area 4 x 6cm, of the rat’s back. The
sample was in contact with skin for 24 hrs, fixed
by gauze, aluminum foil and plaster bandage, so
that the animals were able to move freely and
couldn’t eat the sample. The bandage was removed
after 24 hrs. Rats were observed for the next 14
days, after which rats were weighed, euthanized,
and necropsied and organs were macroscopically
examined.

Results:

Value: LD50 > 5 ml/kg


Number of deaths
at each dose level: There were no mortalities

Remarks: No clinical signs of toxicity were noted. There


was normal body weight increase. No macroscopic
pathomorphological changes were found during the
necropsies. The results indicate that the C20-24
fraction is not absorbed in toxic quantity.

Reliability: (1) Reliable without restrictions

References: Research Institute of Organic Synthesis a.s,


(1990)Pardubice, Czech Republic, Test No. T2102
(unpublished report).

(5) Test Substance

Identity (purity): CAS Nos. C20=182636-03-9, C22=182636-04- 0,


C24=182636-05-1; C20-24 Alkenes, Branched
and Linear (even-numbered carbons only)
( <1% C18’s, 40-44% C20’s, 35-39% C22’s,
18-22% C24’s, <1% C26’s; >70% branched)

Method

Method/guideline: OECD 402


Type (test type): LD50
GLP: Yes
Year: 1998

730 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
Species/Strain: Rat/Sprague-Dawley CD (Crl:CD®BR)
Sex: Males and females
No. of animals
per sex per dose:5

Vehicle: None
Route of
administration: Dermal

Statistical Methods: The acute dermal median lethal dose (LD50)


was calculated by an accepted method, e.g. Weil
(1952), Litchfield and Wilcoxon (1949), Finney
(1971) or Thompson (1947) method. Where possible
LD50 values and 95% confidence limits were
calculated for males and females separately.

Test Conditions: A study was performed to assess the acute dermal


toxicity of the test material in the Sprague-
Dawley strain rat. A group of ten animals (five
males and five females) was given single, 24-hour,
semi-occluded, dermal applications to intact skin
at a dose level of 2000 mg/kg bodyweight. The
specific gravity of the test material was 0.796
and the dose volume was adjusted accordingly. At
the start of the main study the males weighed 206
to 225 g and the females 206 to 224 g and were
approximately eight to twelve weeks old. The
animals were observed for fourteen days after the
day of treatment and were then killed for gross
pathological examination.

Results:

Value: LD50 > 2000 mg/kg


Number of deaths
at each dose level: There were no deaths

Remarks: No signs of systemic toxicity or skin irritation


were noted during the study. All animals showed
expected gain in bodyweight during the study. No
abnormalities were noted at necropsy. The acute
dermal median lethal dose (LD50) of the test
material in the Sprague-Dawley strain rat was
found to be greater than 2000 mg/kg bodyweight.

Reliability: (1) Reliable without restrictions

References: Driscoll R (1998) C20-24 Alkenes, Branched and


Linear: Acute Dermal Toxicity Study in The Rat,
SafePharm Laboratories Limited Project No.
703/117. Conducted for Chevron Research and
Technology Company (unpublished report).

D. Acute toxicity, other routes

No data available

5.3 Corrosiveness/Irritation

UNEP PUBLICATIONS 731


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005

A. Skin Irritation/Corrosion

(1) Test Substance: CAS No. 112-88-9, 1-Octadecene (~92%, GULFTENE


18)

pH: Not applicable

Method: OECD 404

Test Type: in vivo


GLP: Yes
Year: 1995

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Male and female
Number of animals
per sex per dose:5 males and 1 female

Total dose: 0.5 ml


Vehicle: None
Exposure time period: 4 hrs
Grading scale: Draize

Method Remarks: At the start of the study, the animals weighed


2.48 to 2.85 kg and were approximately 12 to 20
weeks old. One-half ml undiluted material was
applied to the unabraded skin on the shaved backs
of 6 rabbits, under a semi-occluded dressing
(cotton gauze patch placed in position with a strip
of porous tape; trunk wrapped in an elasticated
corset [TUBIGRIP]). A contralateral area of
untreated skin was identified to serve as the
control against which the reactions of the
untreated site were evaluated. Four hours after
application, the corset and patches were removed
and residual test material was removed by swabbing
with cotton wool soaked in 74% Industrial
Methylated Spirits. The control sites were
similarly swabbed. Scores were made for erythema
and edema at 0.5, 24, 48, 72 and 96 hr after
removal of patches, and at 7 and 14 days after
initiation of exposure.

Results: The 4-hr exposure produced very slight erythema at


5 treated skin sites with well-defined erythema at
one treated skin site at the 30-minute observation.
Very slight erythema was also apparent at 2 control
sites at this time. Very slight erythema persisted
at 3 treated skin sites with well-defined erythema
apparent at 3 treated skin sites at the 24, 48 and
72-hr observations. Very slight erythema was noted
at 4 treated skin sites with well-defined erythema
at 2 treated skin sites at the 96-hr observation.
Desquamation was noted at 5 treated sites at the
96-hr observation. Crust formation was apparent at
2 treated skin sites at the 7-day observations. The

732 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
dermal reactions extended up to 4 cm beyond all
treated skin sites during the study. Very slight
edema was noted at 4 treated sites at the 30-minute
observation and at 3 treated sites at the 24-hr
observation. Slight edema was noted at 2 treated
sites at the 24, 48 and 72-hr observations and
persisted at 1 site at the 96-hr observation. The
Draize primary irritation index was 2.29. The mean
24-72 hr scores for erythema and edema were 1.5 and
0.9, respectively.

Reliability: (1) Reliable without restrictions

Reference: Driscoll, R. (1996) Acute dermal irritation test


in the rabbit with GULFTENE 18, Report 703/081.
Conducted by Safepharm Laboratories Ltd. for
Chevron Research and Technology Company
(unpublished report).

(2) Test Substance: CAS No. 112-88-9, 1-Octadecene (NEODENE 18)

pH: Not applicable

Method: US EPA TSCA (40 CFR)

Test Type: in vivo


GLP: Yes
Year: 1991

Test Conditions

Species: Rabbits
Strain:
Cell type:
Sex: Male and female
Number of animals
per sex per dose: 3

Total dose: 0.5 ml


Vehicle: None
Exposure time period: 4 hr
Grading scale: Draize

Method Remarks: Groups of 3 males and 3 females. Doses of 0.5 ml


undiluted material applied under occlusive
dressing for 4 hours. Scored at 0.5, 1, 24, 48
and 72 hours and on Day 7 (termination).

Results: Primary Irritation Index = 3.2. Mean 24, 48 and


72-hour scores: erythema 2.17; oedema 0.94. Mean
scores on Day 7: erythema 0.33; oedema 0.94.

Reliability: (2) Reliable with restrictions; the testing


guideline specifies a semi-occlusive dressing, but
an occlusive dressing was used.

Reference: Shell Oil Company (1991) Primary skin irritation


study in rabbits of Neodene 18 alphaolefin. Ref.
91-8383-21 (unpublished report).

UNEP PUBLICATIONS 733


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005

(3) Test Substance: CAS No. 112-88-9, 1-Octadecene (NEODENE 18)

pH: Not applicable

Method: Human Patch Test

Test Type: in vivo


GLP: No
Year: 1992

Test Conditions

Species: Human volunteers


Strain:
Cell type:
Sex: Male and female
Number of animals
per sex per dose: 12 females and 6 males

Total dose: 0.2 ml of undiluted, 25%, 10%, and 1% dilutions in


mineral oil
Vehicle: mineral oil
Exposure time period: 24 hr
Grading scale: See Method Remarks

Method Remarks: Each person received a single 24 hour semi-


occluded patch exposure to 0.2 ml undiluted
product and 25, 10 and 1% dilutions in mineral oil
to the upper arm. Test sites were scored at 30
minutes and 24 hours after patch removal. Scores
of 0-3 were given to reactions at both time points
and these were summed to give a maximum of 6.
Sodium lauryl sulphate (SLS) in distilled water
was included as control.

Results: No evidence of irritation was noted with dilute


applications of Neodene 18 (mean score 0.0).
Undiluted Neodene 18 caused a strong clinical
reaction. At the 30 minute observation time, 16 of
the 18 volunteers exhibited moderate to strong
erythema, oedema and papules. At 24 hours, 17
subjects showed similar signs and 9 of these had
effects spreading beyond the application site.
The mean score was 4.28. Two subjects showed mild
to moderate erythema to 0.25% SLS (mean score
0.22).

Reliability: (2) Reliable with restrictions; exposure time was


too long

Reference: Shell Oil Company (1992) Evaluation of primary


irritation potential of Neodene 18 in humans.
Single 24 hour application. Report 92-1388-70A.
(unpublished report).

(4) Test Substance: CAS No. 26952-14-7 (Hexadecene, 49%) and 27070-58-
2

734 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
(Octadecene 49%) with 2% C32-36 olefins as
impurities; double bond occurs at all locations
along the carbon chain; 20-30% methyl branching

pH: Not applicable

Method: OECD 404 except that only 3 animals were employed

Test Type: in vivo


GLP: Yes
Year: 1994

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Male and female
Number of animals
per sex per dose: 2 males and 1 female

Total dose: 0.5 ml


Vehicle: None
Exposure time period: 4 hr
Grading scale: Draize

Method Remarks: At the start of the study, the animals (young


adults) weighed 2.0 to 3.5 kg. One-half ml
undiluted material was applied to the unabraded
skin (approximately 6.25 cm2 ) on the shaved backs
of 3 rabbits, under a semi-occluded dressing
(cotton gauze patch covered with porous tape; trunk
loosely wrapped with a sheet of Texwipe® cotton
cloth). Each rabbit was fitted with an Elizabethan
collar during the exposure period. A contralateral
area of untreated skin served as the control
against which reactions of the treated site were
evaluated. After 4 hrs, patches were removed and
residual test substance was removed using a paper
towel moistened with tap water. Scores were made
for erythema and edema at 1, 24, 48 and 72 hr, and
at 7 and 14 days after initiation of exposure.

Results: The 4-hr exposure produced well-defined erythema


and very slight to slight edema which cleared by
day 14. No physical or behavioral abnormalities
were observed in any animal. The Draize primary
irritation index was 2.2/8. The average of 24-72
scores were 1.3, 2.0, and 1.3 for erythema and
0.0, 0.3, and 0.3 for edema for each animal.

Reliability: (1) Reliable without restrictions

Reference: Morris, T. (1995) Acute dermal irritation


screening study in rabbits with C16/C18 Alpha
Olefins, Isomerized. Conducted by Hill Top
Biolabs, Inc., Project No. 94-8345-21 (A), for
Chevron Research and Technology Company
(unpublished report).

UNEP PUBLICATIONS 735


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
C. Eye Irritation/Corrosion

(1) Test Substance: C18-24 Alpha Olefin

Remarks: Blend of CAS No. 112-88-9, 1-Octadecene; CAS No.


3452-07-1, 1-Eicosene; CAS No. 1599-67-3, 1-
Docosene; CAS No. 10192-32-2, 1-Tetracosene
(proportions unknown)

pH: Not applicable

Method: USA 16 CFR 1500.42

Test Type: in vivo


GLP: No
Year: 1977

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Not reported
Number of animals
per dose: 6

Dose(s) used: 0.1 ml


Vehicle: None
Observation period: 72 hrs
Scoring method used: Draize scoring at 24, 48, and 72 hours after
treatment

Remarks: Six New Zealand white rabbits had 0.1 ml material


applied to right eye. Eyes were not irrigated.
Observations were made at 24, 48, and 72 hours.

Results: All rabbits had mild conjunctivitis that cleared


in 2 days. No corneal opacity occurred. At 24
hours, 1 rabbit had scores of 2 for redness and
edema, 5 animals had scores of 1. At 48 hours, 2
animals had scores of 1 for redness, 1 animal had
a score of 2 and 2 animals had scores of 1 for
swelling. At 72 hours, all scores were 0. Mean
Draize score = 4.67/110 at 24 hr; 2.0 at 48 hr;
0 at 72 hr; mean 24-72-hr scores for corneal
opacity, iritis, conjunctival redness, and
conjunctival chemosis were 0, 0, 0.50, and 0.61,
respectively.

Reliability: (2) Reliable with restrictions composition and sex


of test animals was not reported.

Reference: Gulf South Research Institute, New Iberia,


Louisiana (1977) Toxicological Evaluation of Ethyl
Compound 100-527 Prepared for Ethyl Corporation
(unpublished report).

(2) Test Substance: CAS No. 26952-14-7 (Hexadecene, 49%) and 27070-58-
2

736 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
(Octadecene 49%) with 2% C32-36 olefins as
impurities; double bond occurs at all locations
along the carbon chain; 20-30% methyl branching

pH: Not applicable

Method: OECD 405 except that only 3 animals were used

Test Type: in vivo


GLP: Yes
Year: 1994

Test Conditions

Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Male and females
Number of animals
per dose: 1 male and 2 females

Dose(s) used: 0.1 ml


Vehicle: None
Observation period: 72 hrs
Scoring method used: Draize scoring at 1, 24, 48, and 72 hours
after treatment

Remarks: Young adult rabbits weighing 3.005 to 3.079 kg were


used. The undiluted test substance was applied to
one eye of each animal. The lids were gently held
together for approximately one second. The eyes
were rinsed after 24 hours. The eyes were examined
for ocular irritation at 1, 24, 48 and 72 hrs
following treatment. With the exception of the 1 hr
scoring, all eyes were scored again for corneal
opacity, intensity, and area using sodium
fluorescein. Each animal was also observed daily
for any physiological or behavioral abnormalities.

Results: Draize score at 24 hours was 2.0/110 for eyes


scored with and without sodium fluorescein. The
average of the 24-72 hr scores for each animal
were 0 for corneal opacity and iritis; 0.0, 0.33,
and 0.33 for conjunctival redness, and 0.0, 0.33,
and 0.0 for conjunctival chemosis.

Remarks: The test substance did not produce corneal opacity


or iritis but did produce conjunctival irritation
which was observed at the 1 and 24-hr readings.
All eyes were clear at the 48-hr reading. The
maximum total irritation score observed for
individual animals was 4.

Reliability: (1) Reliable without restrictions

Reference: Morris, T. (1995) Acute eye irritation screening


study in rabbits with C16/C18 Alpha Olefins,
Isomerized. Conducted by Hill Top Biolabs, Inc.,
Project No. 94-8346-21 (A), for Chevron Chemical
Company (unpublished report).

UNEP PUBLICATIONS 737


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005

5.4 Skin Sensitisation

A. Test Substance: CAS No. 112-88-9, 1-Octadecene (NEODENE 18 Alpha


Olefin)

Method: Buehler, 1965; Ritz and Buehler, 1980

Test Type: challenge


GLP: Yes
Year: 1992

Test Conditions

Species: Guinea pig


Strain: No data
Sex: No data
Number of animals
per sex per dose: 20 test and 10 control, sex unknown
Route of
administration: Topical
Induction conc.: 5%
Induction vehicle: Acetone
Challenge conc.: 2.5%
Challenge vehicle: Acetone
Grading system used: Buehler
0=no reaction
+/--= slight, patchy erythema
1=slight but confluent, or moderate patchy erythema
2=moderate erythema
3=severe erythema with or without edema

Method remarks: Guinea pig, 20 test and 10 control animals. Groups of


guinea pigs were treated with either 0.5 ml test
material in diluent, 0.5 ml 0.1% w/v 2,4-
dinitrochlorobenzene (DNCB positive control) or 0.5 ml
ethanol (diluent control). Shaved sites were treated
topically under an occlusive dressing 1 day/week, 6
hr/day for 3 consecutive weeks. After a 2 week rest, a
challenge dose was given at the original site and a
virgin site. Also at this time, a separate group was
treated with 0.5 ml test material at the same
concentration as used in the induction treatments. This
was to measure irritation. Scoring was carried out 24
and 48 hr later.

Results: Negative for sensitization

Results Remarks:

24 hr scores 48 hr scores

test group 7/20 at grade +/- 6/20 at grade +/-

control 5/10 at grade +/- 6/10 at grade +/-

Reliability: (1) Reliable without restrictions

738 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005

Reference: Shell Oil Company (1992) Delayed contact


hypersensitivity study in guinea pigs (Buehler
technique): Neodene 18 alpha olefin. Ref 91-8383-21(B)
(unpublished report).

Buehler, E.V. (1965) Delayed contact hypersensitivity in


the guinea pig, Archives of Dermatology 91:171-177.

Ritz, H.L. and E.V. Buehler (1980) Planning, conduct and


interpretation of guinea pig sensitization patch tests
in Current Concepts in Cutaneous Toxicity, ed. V. Drill
and P. Lazar. Academic Press, New York, N.Y. pp. 25-42.

B. Test Substance: CAS No. 112-88-9, 1-Octadecene (NEODENE 18 Alpha


Olefin)

Method: Human Patch Test


Test Type: challenge
GLP: No
Year: 1992

Test Conditions
Species: Human volunteers
Strain:
Sex: Male and female
Number of animals
per sex per dose: 31 females and 5 males

Route of
administration: Topical

Induction conc.: 25%


Induction vehicle: Mineral oil
Challenge conc.: 25%
Challenge vehicle: Mineral oil
Grading system used: No data

Method remarks: Each subject received 0.2 ml of test material in a semi-


occluded patch exposure of 24 hours on 3 alternate days
for 3 weeks (9 induction exposures). After 10-17 days
rest, challenge applications were given at a test site
and a naive site on the upper arm for 24 hours. Sodium
lauryl sulphate (SLS) at 0.1% in water was included as
control.

Results: Negative for sensitization

Grades: No data

Remarks: Two subjects developed a transient reaction to NEODENE


18 during the induction phase whilst eight subjects
reacted to the SLS. There was no reaction to either
NEODENE 18 or to SLS challenge.

Reliability: (1) Reliable without restrictions

UNEP PUBLICATIONS 739


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
Reference: Shell Oil Company (1992) Repeated insult patch test of
NEODENE 18 in humans. Report No. 92-1388-70B.
(unpublished report).

C. Test Substance: CAS No. 26952-14-7 (Hexadecene, 49%) and 27070-58-2


(Octadecene
49%) with 2% C32-36 olefins as impurities; double bond
occurs at all locations along the carbon chain; 20-30%
methyl branching

Method: Buehler

Test Type: challenge


GLP: Yes
Year: 1994

Test Conditions

Species: Albino guinea pig


Strain: Hartley
Sex: Males and females
Number of animals
per sex per dose: 1st Pilot (4 doses) = 1, 2nd Pilot (4 doses) = 1,
Induction = 10, Challenge = 5, Rechallenge = 5

Route of
administration: Topical

Induction conc.: 5% for test substance


Induction vehicle: Mineral Oil Light U.S.P. for test substance, 95%
ethyl alcohol for positive control
Challenge conc.: 5% for test substance
Challenge vehicle: Mineral Oil Light U.S.P. for test substance,
acetone for positive control
Grading system used: 0 = no reaction, ± = slight, patchy erythema, 1 =
slight but confluent, or moderate patchy erythema, 2 =
moderate erythema, 3 = severe erythema with or without
edema

Method remarks: At the start of the induction phase, the body weight
range of the test and primary challenge animals ranged
from 336-493 g; animals were the same age (± 5 days) and
were 6-11 weeks old. At the start of the rechallenge
phase, the body weights of the rechallenge animals
ranged from 426-599 g.

HISTORICAL POSITIVE CONTROL GROUP: 10 animals received


3 induction treatments with α-hexylcinnamaldehyde (HC)
(tech., 85%) at concentrations of 5% w/v in 95% ethanol.
Approx. 2 wks following induction, a primary challenge
treatment was conducted with the 10 test animals and 4
naïve control animals with HC at 5%, 2.5%, and 1.0% w/v
in acetone. 13 days following primary challenge
treatment, a rechallenge treatment was conducted with
the 10 test animals and 5 naïve control animals with HC
at 5% w/v in acetone.

PILOT (IRRITATION SCREENING): The irritation potential


of the test material at levels of undiluted, 50%, 25%,

740 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
10%, 5%, 2.5%, 1%, and 0.5% were evaluated. The position
of the different concentrations on the animals were
varied to adjust for possible site-to-site variation in
response. One day prior to exposure, hair was removed
from backs with clippers. 0.3 ml test preparation was
applied to a 25 mm Hill Top Chamber®. The animal was
placed into a restrainer, the chamber was applied to the
clipped surface, and the chamber was occluded with
rubber dental dam. Approximately 6 hr later, the chamber
and restrainer were removed.

INDUCTION: An undiluted concentration of C16/C18


Alpha Olefins, Isomerized in Mineral Oil, was chosen for
induction. The left shoulders of 20 animals were clipped
the day before exposure. The clipped areas were exposed
and animals restrained as described for the Pilot. The
procedure was repeated at the same site once a week for
2 wks. After the last induction exposure, the animals
were left untreated for 12 days.

PRIMARY CHALLENGE: Using the same procedure as in the


induction phase but at a different skin site, the test
animals (10 M, 9 F) were again exposed to the test
material (5% in Mineral Oil). In addition, 10 naïve
animals were treated with the test material.

RECHALLENGE: 7 days after primary challenge, test


animals (10 M, 9 F) were again exposed to the test
material (5% in Mineral Oil). In addition, 10 naïve
animals were treated with the test material.

OBSERVATIONS: On the day following irritation screening,


primary challenge, and rechallenge, animals were
depilated and, 2 hr later, scored. Scoring was repeated
the following day. No statistical analysis was
conducted.

Results: Animals treated with C16/C18 Alpha Olefin, Isomerized


were not sensitized

Grades: The incidence of grade 1 responses in the test group


(12/19) compared to that of the naïve control group
(4/10) suggested the possibility that sensitization
might have been induced. Following rechallenge, the
incidence of grade 1 responses in the test group (12/19)
compared to that of the naïve control group (8/10)
indicated that sensitization had not been induced.

Results Remarks: One female was found dead 3 days after first induction
application. Cause of death was not determined.

Reliability: (1) Reliable without restrictions

Reference: Morris, T. (1995) Delayed contact hypersensitivity study


in guinea pigs (Buehler technique). Conducted by Hill
Top Biolabs, Inc., Project No. 94-8414-21, for Chevron
Research and Technology Company (unpublished report).

UNEP PUBLICATIONS 741


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
5.5 Repeated Dose Toxicity

A. Test Substance

Identity (purity): C16/18 isomerised olefin


Remarks: C14-0.4%, C16-53.6%, C18-37.6%, C20-7.9%, C22-0.5%.
Linear terminal 1.8%, linear internal 71.9%, Branched
terminal 15.6% Trisubstituted 10.7%.

Method

Method/guideline: OECD 407


Test type: subacute toxicity
GLP: Yes
Year: 2000
Species: Rat
Strain: Sprague Dawley (crl:CD BR)
Route of
Administration: Oral gavage

Duration of test: 4 weeks


Doses: 0, 25, 150, or 1000 mg/kg./day
Sex: Males and females
Exposure period: 4 weeks
Frequency
of treatment: Once daily, 7 days/week

Control group
and treatment: Concurrent vehicle control (corn oil)

Post exposure
observation period: None

Statistical methods: Analysis of variance (Snedecor and Cochran, 1980)


Kruskal-Wallis non-parametric analysis (Hollander
and Wolfe, 1973) Fisher’s Exact Probability test
(Siegel 1956)

Test Conditions: Groups of ten rats (5M:5F) were dosed orally by gavage
once daily over a period of 28 days. Animals were
approximately 41 days old on the first day of dosing.
Animals were regularly monitored for any signs of ill
health or reaction to treatment. Detailed functional
observations were performed weekly, with additional
functional observations performed during pretrial and
week four. Body weights and food consumption were
recorded twice weekly. Blood and urine samples were
collected during week four of the study. After four
weeks of treatment animals were sacrificed and subjected
to necropsy. A comprehensive list of organs were
weighed and /or preserved preserved (adrenal, brain,
epididymis, eye, gastrointestinal tract including
stomach, duodenum, jejunum, ileum, caecum, colon,
rectum, heart, kidney, liver, lung, bone marrow,
mesenteric lymph node, ovary, pituitary, prostate,
sciatic nerve, spinal cord, spleen, submandibular lymph
node, testis, thymus, thyroid with parathyroid, trachea,
urinary bladder, uterus). Tissues from the controls and
high dose animals were subjected to histological
examination. Histology was also performed on the male
kidneys from the lower doses.

742 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
Results

NOAEL (NOEL): NOAEL = 1000 mg/kg/day

Actual dose received


by dose level by
sex if known: Actual doses for both sexes were 0, 25, 150, or 1000
mg/kg/day.

Remarks: There was little evidence of toxicity noted in animals


treated at levels up to 1000 mg/kg/day. A slight
increase in male body weight was noted at 1000 mg/kg but
did not achieve statistical significance. Statistically
significant, but equivocal, changes in urinary volume
(higher than controls) and kidney weight (lower than
controls) were considered unlikely to be treatment
related in the absence of any macro- or microscopic
changes. There were no treatment related findings
associated with treatment at 25 or 150 mg/kg/day.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint.

References: Clubb, S. (2000) AmoDrill 1000 4-Week Toxicity Study


Including Neurotoxicity Screening in Rats with
Administration by Gavage. Inveresk Project Number
454729. Inveresk Report Number 17561. Inveresk Research
Tranent EH33 2NE Scotland. Sponsor Amoco Corporation
(unpublished report).

B. Test Substance

Identity (purity): CAS Nos. C20=182636-03-9, C22=182636-04-0,


C24=182636-05-1; C20-24 Alkenes, Branched and Linear
(even-numbered carbons only)
( <1% C18’s, 40-44% C20’s, 35-39% C22’s, 18-22% C24’s,
<1% C26’s; >70% branched)

Method

Method/guideline: OECD 408


Test type: Subchronic Oral Toxicity - Rodent: 90-day Study
GLP: Yes
Year: 1999
Species: Rat
Strain: Crl:CD BR
Route of
Administration: Oral gavage

Duration of test: 17 weeks


Doses: 0, 100, 500, and 1000 mg/kg /day
Sex: Males and females
Exposure period: 13 weeks
Frequency
of treatment: Once daily

Control group
and treatment: Concurrent vehicle control (corn oil)

Post exposure

UNEP PUBLICATIONS 743


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
observation period: 4 weeks

Statistical methods: All statistical analyses were carried out


separately for males and females. If the data consisted
predominantly of one particular value (relative
frequency of the mode exceeded 75%), the proportion of
animals with values different from the mode was analyzed
(Fisher, 1950; Mantel, 1963). Otherwise, a test was
applied to test for heterogeneity of variance between
treatments (Bartlett, 1937). Where significant (at the
1% level) heterogeneity was found, a logarithmic
transformation was tried to see if a more stable
variance structure could be obtained. Except for predose
data, analyses of variance were followed by Student’s t
test and Williams test (Williams, 1971, 1972) for a dose
related response, although only the one thought most
appropriate for the response pattern observed was
reported. The Kruskal-Wallis analyses were followed by
the non-parametric equivalents of these tests (Shirley,
1977). When appropriate, analysis of covariance was used
in place of analysis of variance in the above sequence.
For most parameters, the appropriate covariance was the
same parameter at predose. For organ weight data,
analysis of variance was performed using terminal
bodyweight as covariate when the within group
relationship between organ weight and bodyweight was
significant at the 10% level.

Test Conditions: In a preliminary range-finder study, test material was


administered by gavage to a group of 3 male and 3 female
Sprague-Dawley CD strain rats for twenty-eight
consecutive days at a dose level of 1000 mg/kg/day. A
control group of 3 males and 3 females remained
untreated throughout the study period but was otherwise
handled in an identical manner to that of the test
animals.

In the 13-week study with 28-day recovery period,


animals were 6 wks old at the start of treatment and
weighed 146-189 g (males) and 131-169 g (females). The
test material was administered by gavage to groups of 20
male and 20 female Sprague-Dawley CD strain rats at 1000
mg/kg/day and 10 animals of each sex at 100 and 500
mg/kg/day for a period of 13 weeks. A control group of
20 males and 20 females received the vehicle, corn oil.
At the end of the 13-week treatment period 10 males and
10 females from each group were sacrificed; the
remaining 10 male and 10 female animals from the control
and high dose groups were maintained, undosed for a 4-
week period to assess recovery. Clinical signs,
bodyweight, and food and water consumption were
monitored during the study, and ophthalmoscopy and
neurobehavioral screening (motor activity and functional
observational battery) were performed. On completion of
13 weeks of treatment and/or 4 weeks of recovery, all
surviving animals were killed and a full macroscopic
examination of the tissues was performed. All
superficial tissues, the abdominal viscera, the
gastrointestinal tract and organs including adrenals,
lungs, kidneys, liver, gonads, uterus, intra-abdominal
lymph nodes and accessory reproductive organs were

744 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
examined visually and by palpation. The following organs
were dissected free of fat and weighed: adrenals, brain,
epididymides, heart, kidneys, liver, ovaries, pituitary,
spleen, testes, thymus, thyroid (with parathyroids) and
uterus (with cervix). Samples of all the tissues were
preserved in buffered 10% formalin (except eyes, which
were preserved in Davidson’s fixative, and testes and
epididymides which were initially placed in Bouins
solution and transferred to 70% alcohol). Tissues
required for microscopic examination in the study
(adrenals, alimentary tract, brain, epididymides, eyes,
femur, heart, kidneys, liver, lungs, lymph nodes,
mammary gland, ovaries, pancreas, pituitary, prostate,
salivary glands, sciatic nerve, seminal vesicles,
skeletal muscle, spinal column, spleen, sternum, testes,
thymus, thyroids, trachea, urinary bladder and uterus)
were embedded in paraffin wax and sections cut at 4
micrometers were stained with haematoxylin and eosin.
Tissues of testes were stained using a standard PAS
method.

The dosing solutions were analyzed for stability,


homogeneity and concentration. Prior to treatment, the
homogeneity and stability for the dosing formulation was
confirmed at nominal concentrations of 1 mg/ml and 200
mg/ml during ambient temperature storage for 2 days and
refrigerated storage for 15 days, a period representing
the maximum time from preparation to completion of
dosing. Formulations used during the study were analyzed
for concentration.

Results

NOAEL (NOEL): NOAEL = 1000 mg/kg/day


NOEL = 100 mg/kg/day (males - glucose); 500 mg/kg/day
for females (liver weight and adrenal hypertrophy)
LOAEL (LOEL): LOEL = 500 mg/kg/day (males);
1000 (females)

Actual dose received


by dose level by
sex if known: The mean concentration of C20-24 alkenes, branched and
linear, in test formulations analyzed during the study
were within ± 12% of nominal concentrations, confirming
the accuracy of formulation.

Remarks: In a preliminary rangefinder study, no treatment-related


changes in the parameters measured were found. The "No
Observed Effect Level" (NOEL) is therefore considered to
be 1000 mg/kg/day.

In the 13-wk study, there were no deaths during the


study. No clinical signs or effects on bodyweight or
food intake were seen. No ophthalmological or
neurobehavioral effects were noted. Slight,
statistically significant, yet reversible changes in
haematological parameters were noted amongst animals
receiving 1000 mg/kg/day when compared with the
controls: lower packed cell volume of males and females,
lower haemoglobin levels of males, lower erythrocyte
count of females and longer clotting times of males at

UNEP PUBLICATIONS 745


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
the end of the 13-week treatment. Group mean glucose
levels were statistically significantly higher amongst
male rats receiving 500 and 1000 mg/kg/day in the 13
week study when compared with controls. These effects
were not apparent at the end of the 4-week recovery
period. In the absence of any obvious dose response or
any consistency across the sexes, these effects were
considered to be of no toxicological importance.

Minimal, adaptive hepatic changes (centrilobular


hepatocyte hypertrophy) associated with statistically
significant higher group mean liver weight (12.5, 13.2,
14.4, 13.9 g for control, 100, 500, 1000 mg/kg/day,
respectively), were detected in a small number of
females of all treated groups (1 for 100 mg/kg/day, 3
for 500 mg/kg/day, and 4 for 1000 mg/kg/day), but not in
any control females. The increased incidence was
statistically significant only among females of the 1000
mg/kg/day group. A statistically significant increased
incidence of minimal or slight adrenal cortical
hypertrophy was noted amongst females receiving 1000
mg/kg/day compared with controls (2 for control, 2 for
100 mg/kg/day, 3 for 500 mg/kg/day, and 10 for 1000
mg/kg/day) associated with increased adrenal weight
(71.6, 72.9, 87.2, 84.8 g for control, 100, 500, 1000
mg/kg/day, respectively). A significantly increased
incidence of minimal or slight epithelial hyperplasia in
the stomach was noted amongst males receiving 1000
mg/kg/day (7 incidences, controls: 2 incidences), which
could be associated with the route of administration.
These findings were not present following a 4-week
recovery period. The study report author assigned a
NOAEL of 1000 mg/kg/day.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint.

References: Brooker AJ (1999) C20-24 Alkenes, Branched and Linear:


Toxicity Study By Oral Gavage Administration to CD Rats
for 13 Weeks Followed by a 4-Week Recovery Period,
Huntingdon Life Sciences Project Nos. CHR/052 and
CHR/053. Conducted for Chevron Research and Technology
Company (unpublished report).

C. Test Substance

Identity (purity): CAS 27070-58-2, Octadecenes; CAS 182636-02-8,


Branched Octadecenes

Remarks: Test substance identified as Octadecene C18 Compound;


96.7% C18 olefins; 1.84% C16 olefins, 0.95% C20
olefins; 3.30% normal alpha olefins; 32.5% methyl
branched isomers; 67.5% linear olefins.

Method/guideline: OECD 421 (see Sections 5.9.A(1) and 5.9.B for


reproductive toxicity endpoints)
Type: Reproduction/Developmental Toxicity Screening Test
GLP: Yes

746 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
Year: 2003
Species: Rat
Strain: Sprague-Dawley
Route of
administration: Oral gavage
Concentration levels: 0, 100, 500 and 1000 mg/kg/day
Sex: Male and female
Control group
and treatment: Corn oil by oral gavage (5 mL/kg)
Frequency of treatment: Daily
Duration of test: Through lactation day 4 for pups
Premating exposure
period for males: Two weeks
Premating exposure
period for females: Two weeks
Statistical methods: See Section 5.9.A.(1)

Test Conditions: See Section 5.9.A(1). General toxicity endpoints were


limited to mortality, clinical observations, bodyweight,
food consumption, gross necropsy examination, and
reproductive organ weights and histopathology. Treatment
was for approximately 56 days.

Results

NOAEL: NOAEL for general toxicity = 1000 mg/kg/day (limited


endpoints)

Actual dose received


by dose level by
sex if known: All dosing formulations were found to be within 20% of
the stated concentration.

Maternal and Paternal


general toxicity: No toxicologically meaningful effects seen at 1000
mg/kg/day (see Section 5.9.A(1) for details)

Reliability: (1) Reliable without restrictions

References: Thorsrud, B.A. (2003) An oral (gavage)


reproduction/developmental toxicity screening study in
Sprague Dawley rats with (C18) Octadecenes. Report No.
3604.1. Conducted by Springborn Laboratories,
Spencerville, OH, for American Chemistry Council Higher
Olefins Panel (unpublished study).

5.6 Genetic Toxicity in vitro

A. Gene Mutation

(1) Test Substance

Identity (purity): CAS No. 112-88-9, 1-Octadecene (SHOP C18


linear alpha olefin)

Remarks: Source: S.O.C., Houston, Texas. Stability during


use confirmed by an NMR technique.

UNEP PUBLICATIONS 747


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
Method

Method/guideline: Similar to OECD 471


Type: in-vitro bacterial reverse mutation – Ames Assay
System of testing: bacterial
GLP: No
Year: 1980
Species/Strain: Salmonella typhimurium strains TA 1535, TA 1537,
TA 1538, TA 98, and TA 100. Escherichia coli
strains WP2 and WP2 uvrA.

Metabolic activation: With and without S9 fraction from Arochlor


induced rat liver

Concentrations tested: 0, 0.2, 2.0, 20, 200, and 2000 µg/plate

Statistical Methods: Reproducible values of 2.5 X control value


or greater are considered to indicate a mutagenic
response.

Test Conditions: Number of replicates: 3 per concentration;


Solvent: acetone
Temperature: 37°C for 48 hours;
Positive control materials: 20 µg/plate of
4-nitroquinoline-N-oxide, sodium azide, or
benzo(a)pyrene. Experiments were carried out
in duplicate.

Results

Cytotoxic conc.: Concentrations used were not reported as cytotoxic


Genotoxic effects: Negative with and without metabolic
activation

Remarks: The addition of Alpha C18 Product to agar layer


cultures of the bacterial tester strains, with or
without the incorporation of rat liver microsomal
fraction, did not result in an increase in the
reversion frequency in any of the strains. All
positive and negative controls responded in a
manner consistent with data from previous assays.

Reliability: (2) Reliable with restrictions: comparable to


guideline study with acceptable restrictions

Flag: Key study for SIDS endpoint.

References: Dean BJ. Shell Chemicals Europe Ltd. (1980)


Toxicity Studies with Detergent Intermediates: In
Vitro Genotoxicity Studies with SHOP Process
Intermediates. Shell Toxicology Laboratory
(Tunstall). Shell Report # TLGR.80.074
(unpublished report).

(2) Test Substance

Identity (purity): CAS Nos. C20=182636-03-9, C22=182636-04-0,


C24=182636-05-1; C20-24 Alkenes, Branched and
Linear (even-numbered carbons only)

748 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
( <1% C18’s, 40-44% C20’s, 35-39% C22’s, 18-22%
C24’s, <1% C26’s; >70% branched)

Method

Method/guideline: OECD 471


Type: in-vitro bacterial reverse mutation – Ames Assay
System of testing: bacterial
GLP: yes
Year: 1998
Species/Strain: Salmonella typhimurium strains TA 1535, TA 1537,
TA 98, and TA 100. Escherichia coli strain WP2
uvrA.

Metabolic activation: With and without S9 fraction from livers


from rats induced with Arochlor 1254 (0.5 ml of
10% S9 mix per plate)

Concentrations tested: 0, 15, 50, 150, 500, 1500, 5000 µg/plate

Statistical Methods: For a substance to be considered positive in


this test system, it should have induced a dose-
related and statistically significant increase in
the revertant count in one or more strains of
bacteria in the presence and/or absence of S9 in
both experiments. To be considered negative, the
number of revertants at each dose level should
have been less than twofold the vehicle control
frequency for TA100, TA98 and WP2uvrA- and
threefold for TA1535 and TA1537. Statistical
significance was analyzed using the methods
recommended by the UKEMS [Reference: Kirkland,
D.J., Ed., Statistical Evaluation of Mutagenicity
Test Data, UKEMS sub-committee on Guidelines for
Mutagenicity Testing. Report Part III (1989)
Cambridge University Press.].

Test Conditions: Bacterial strains were treated with the test


material using the Ames plate incorporation method
at six dose levels, in triplicate, both with and
without the addition of a rat liver homogenate
metabolizing system. The dose range was determined
in a preliminary toxicity assay and was 15 to 5000
ug/plate in the first experiment. A second
experiment was performed on a separate day using
the same dose range as Experiment 1, fresh
cultures of the bacterial strains, and fresh
chemical formulations. Vehicle (acetone),
untreated (negative) and positive controls were
included in each experiment.

For the test, 0.1 mL of bacterial culture, 2.0 mL


of top agar, 0.1 mL of the test material
formulation, vehicle or positive control and
either 0.5 mL of S9 mix or phosphate buffer was
mixed together and poured onto the surface of a
Vogel-Bonner Minimal agar plate. The plates were
incubated for 48 hours at 37°C after an initial
overnight equilibration period and the frequency
of revertant colonies was assessed.

UNEP PUBLICATIONS 749


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
Results

Cytotoxic conc.: None


Genotoxic effects: Negative with and without metabolic
activation

Remarks: The test material caused no visible reduction in


the growth of the bacterial lawn at any dose level
either with or without metabolic activation. The
test material was therefore tested up to a maximum
recommended dose level of 5000 ug/plate. A
precipitate was observed at and above 1500
ug/plate; this however did not interfere with the
scoring of revertant colonies. No significant
increase in the frequency of revertant colonies
was recorded for any of the bacterial strains with
any dose of the test material, either with or
without metabolic activation.

The vehicle (acetone) and untreated control plates


produced counts of revertant colonies within the
normal range.

All of the positive control chemicals used in the


test induced marked increases in the frequency of
revertant colonies and the activity of the S9
fraction was shown to be satisfactory.

The test material was found to be nonmutagenic


under the conditions of this test.

Reliability: (1) Reliable without restrictions

References: Thompson PW (1998) C20-24 Alkenes, Branched and


Linear: Salmonella typhimurium and Escherichia
coli/Mammalian-Microsome Reverse Mutation Assay,
SafePharm Laboratories Limited Project No.
703/086. Conducted for Chevron Research and
Technology Company (unpublished report).

B. Chromosomal Aberration

(1) Test Substance

Identity (purity): CAS No. 112-88-9, 1-Octadecene (SHOP C18


linear alpha olefin)

Remarks: Source: S.O.C., Houston, Texas. Stability during


use confirmed by an NMR technique.

Method

Method/guideline: Not specified


Type: In-vitro mammalian cell chromosome aberration test
System of testing: non- bacterial
GLP: No
Year: 1980
Cell line: Rat liver (RL1) cells
Metabolic activation: None

750 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
Concentrations tested: 0, 125, 250, 500 µg/ml as an acetone
solution
Statistical Methods: No specifics noted. Positive responses
indicated as higher frequency of chromosome damage
as was seen with the positive control substance

Test Conditions: Number of replicates: 3 per concentration.


Frequency of Dosing: continuous. Solvent: acetone.
Positive control: dimethylbenzanthracene
(1.0µg/ml). RL1 slide cultures were exposed to
culture medium containing the test materials at
final concentrations equivalent to 0.5x, 0.25x,
and 0.125x the concentration inhibiting cell
proliferation by 50 % (GI50 concentration). After
24 h the cultures were processed for chromosome
analysis and where possible 100 cells were
analyzed from each of three cultures per dose
group. A repeat assay was performed in order to
verify the data produced in the initial assay.
The range of concentrations of the test compound
to be used to assess the cloning efficiency was
determined from the results of the initial assay.
For each concentration, including the solvent
control, three 9 cm diameter Petri dishes were
used. Five hundred RL4 cells were added to each
dish and cells were incubated in 10 ml tissue
culture medium at 37oC in a humidified atmosphere
containing 5% CO2. Twenty-four hours after adding
the cells, the medium was replaced with medium
containing the compound or solvent, which was
replaced with fresh medium after 24 hours
exposure. Five days later, the cells were fixed
and stained. Colonies containing at least 50
cells were counted. The SBGR concentration of the
test compound that reduced the number of colonies
to an average of approximately 50% of those on the
dishes exposed to solvent only was used as the
highest concentration in the chromosome assay.

Results

Cytotoxic conc.: Concentrations used were not reported as cytotoxic

Genotoxic effects: Negative

Remarks: The concentration range of C18 product that it was


possible to test was restricted since the compound
was insoluble in DMSO. However, reasonably high
concentrations of the compound (500 mg/ml) were
soluble in acetone. In preliminary cytotoxicity
studies, no toxic effects were observed in RL1
cells up to a concentration of 500 µg/ml.
Therefore 500 µg/ml alpha C18 product was used as
the highest dose in the subsequent chromosome
assay. A single exchange figure was observed on
one culture treated with 250 µg/ml alpha C18
product. However, since no dose related increase
in the frequency of chromatid gaps, chromatid
breaks or total chromatid aberrations was
observed, it was concluded that alpha C18 product

UNEP PUBLICATIONS 751


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
did not induce a cytogenetic effect in cultured
RL1 cells.

Reliability: (2) Reliable with restrictions: comparable to


guideline study with acceptable restrictions

Flag: Key study for SIDS endpoint

References: Dean BJ. Shell Chemicals Europe Ltd. (1980).


Toxicity Studies with Detergent Intermediates: In
Vitro Genotoxicity Studies with SHOP Process
Intermediates. Shell Toxicology Laboratory
(Tunstall). Shell Report # TLGR.80.074
(unpublished report).

(2) Test Substance

Identity (purity): CAS Nos. C20=182636-03-9, C22=182636-04-0,


C24=182636-05-1; C20-24 Alkenes, Branched and
Linear (even-numbered carbons only)
( <1% C18’s, 40-44% C20’s, 35-39% C22’s, 18-22%
C24’s, <1% C26’s; >70% branched)

Method

Method/guideline: OECD 473


Type: In-vitro mammalian cell chromosome aberration test
System of testing: non- bacterial
GLP: Yes
Year: 1998
Cell line: Cultured human lymphocytes
Metabolic activation: With and without S9 fraction from Aroclor
1254 induced rats

Concentrations tested: 39.06 – 5000 µg/mL


Statistical Methods: Fisher’s Exact test

Test Conditions: Human lymphocytes treated with the test material


were evaluated for chromosome aberrations at five
dose levels, in duplicate, together with vehicle
(acetone) and positive controls. In experiment 1,
cells were exposed for 4 hours, with and without
the addition of an induced rat liver homogenate
metabolizing system (S9 at 10% in standard co-
factors, final concentration 1%), harvested 20
hours after treatment initiation. Results were
confirmed in a second experiment with a 4-hour
exposure with metabolic activation (at 20% in
standard co-factors, final concentration 2%) and a
20-hour continuous exposure in the absence of
activation, and harvest at 20 hours after
treatment initiation. The dose levels selected
for evaluation for chromosome aberrations (312.5,
625, 1250, 2500, and 5000 µg/ml) were selected on
the basis of toxicity demonstrated by the mitotic
index. Slides were coded and blindly scored. A
total of 2000 lymphocyte cell nuclei were counted
and the number of cells in metaphase recorded and
expressed as the mitotic index and as a percentage

752 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
of the vehicle control value. Where possible, the
first 100 consecutive well-spread metaphases from
each culture were counted, and if the cell had 44
or more chromosomes, any gaps, breaks or
rearrangements were noted. The frequency of cells
with aberrations (both including and excluding
gaps) and the frequency of polyploid cells were
compared, where necessary, with the concurrent
vehicle control value using Fisher's Exact test.

Results

Cytotoxic conc.: > 5000 µg/mL

Genotoxic effects: Negative with and without metabolic


activation.

Remarks: An oily layer on the surface of the media was


observed at and above 312.5 ug/ml when dosed into
media. Presence of an oily precipitate was also
observed after spinning at both the washing and
harvesting stage. There was no mitotic inhibition
at any dose level assessed either in the absence
or presence of S9.

All vehicle (solvent) controls gave frequencies of


cells with aberrations within expected ranges.

All positive control treatments gave statistically


significant increases in the frequency of cells
with aberrations indicating the satisfactory
performance of the test and the activity of the
metabolising system.

The test material did not induce any statistically


significant increases in the frequency of cells
with chromosome aberrations or numbers of
polyploid cells.

The test material was shown to be non-clastogenic


to human lymphocytes in vitro.

Reliability: (1) Reliable without restrictions

References: Wright NP (1998) C20-24 Alkenes, Branched and


Linear: Chromosome Aberration Test in Human
Lymphocytes In Vitro, SafePharm Laboratories
Limited Project No. 703/122. Conducted for Chevron
Research and Technology Company (unpublished
report).

C. Other Genetic Effects

Test Substance

Identity (purity): CAS No. 112-88-9, 1-Octadecene (SHOP C18 linear


alpha olefin)

UNEP PUBLICATIONS 753


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
Remarks: Source: S.O.C., Houston, Texas. Stability during use
confirmed by an NMR technique.

Method

Method/guideline: Similar to OECD 481


Type: Mitotic Gene Conversion
System of testing: non-bacterial
GLP: No
Year: 1980
Species/Strain: Saccharomyces cerevisiae JD1
Metabolic activation: With and without S9 fraction from Arochlor induced
rat liver
Concentrations tested: 0, 0.01, 0.1, 0.5, 1.0 and 5.0 mg/ml

Statistical Methods: Reproducible values of greater than twice the control


value are considered to indicate a mutagenic response.

Test Conditions: Number of replicates: 3 per concentration; Solvent: acetone;


Positive control materials: cyclophosphamide (10 mg/ml) or 4-
nitroquinoline-N-oxide (0.001 or 0.0001 mg/ml). Liquid
suspension cultures of Saccharomyces cerevisiae JD1 were dosed
with 20 µl (without S9 mix) or 25 µl (with S9 mix) of
appropriate solutions or suspensions of Alpha C18 Product to
give final concentrations of 0.01, 0.1, 0.5, 1.0, and 5.0
mg/ml. Three replicate experiments were carried out and
incubation periods of 1 h at room temperature for experiments
without S9 and 1 or 4 h at 37°C in a shaking water bath in the
presence of S9 were used. The mitotic gene conversion was
calculated from counts of revertant colonies after 3 days
incubation of the plate cultures at 30°C.

Results

Cytotoxic conc.: Concentrations used were not reported as cytotoxic


Genotoxic effects: Negative with and without metabolic activation

Remarks: The addition of Alpha C18 product to liquid suspension


cultures of Saccharomyces cerevisiae JD1, with or without the
incorporation of rat liver S9 fraction, did not induce a
consistent increase in mitotic gene conversion at either gene
locus in three replicate experiments.

Reliability: (2) Reliable with restrictions: comparable to guideline study


with acceptable restrictions

References: Dean BJ. Shell Chemicals Europe Ltd. (1980) Toxicity Studies
with Detergent Intermediates: In Vitro Genotoxicity Studies
with SHOP Process Intermediates. Shell Toxicology Laboratory
(Tunstall). Shell Report # TLGR.80.074 (unpublished report).

5.7 Genetic Toxicity in vivo

Test Substance

Identity (purity): CAS Nos. C20=182636-03-9, C22=182636-04-0, C24=182636-


05-1; C20-24 Alkenes, Branched and Linear (even-numbered
carbons only)

754 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
( <1% C18’s, 40-44% C20’s, 35-39% C22’s, 18-22% C24’s, <1%
C26’s; >70% branched)

Method

Method/guideline: OECD 474


Type: Micronucleus Assay
GLP: Yes
Year: 1998
Species: Mouse
Strain: CD-1
Sex: Male
Route of
Administration: i.p.
Concentration levels: 500, 1000 and 2000 mg/kg
Exposure period: 24 and 48 hrs
Statistical methods: A positive mutagenic response was demonstrated when a
statistically significant and dose responsive increase in the
number of micronucleated polychromatic erythrocytes was
observed for either the 24 or 48-hour kill times when compared
to their corresponding control group. A positive response for
bone marrow toxicity was demonstrated when the dose group mean
polychromatic to normochromatic ratio was shown to be
statistically significantly lower than that of the concurrent
vehicle control group. All data were statistically analysed
using appropriate statistical methods as recommended by the
UKEMS Sub-committee on Guidelines for Mutagenicity Testing
Report, Part III (1989).

Test Conditions: A study was performed to assess the potential of the test
material to produce damage to chromosomes or aneuploidy when
administered via the intraperitoneal route to five to eight
week old mice. Following a preliminary range-finding study in
males and females which showed no adverse effects at 2000
mg/kg, the micronucleus study was conducted in males only,
using the test material at the maximum recommended dose level
of 2000 mg/kg with 1000 and 500 mg/kg as the lower two dose
levels. In the micronucleus study, groups of seven male mice
were given single intraperitoneal doses of the test material
at 2000, 1000, and 500 mg/kg diluted with arachis oil. Further
groups of mice were dosed via the intraperitoneal route with
arachis oil (7 mice) or orally with cyclophosphamide (5 mice)
to serve as vehicle and positive controls, respectively.
Animals were killed 24 hours (all doses and controls) and 48
hours (high dose and control only) after exposure. The bone
marrow was extracted from femurs, and smear preparations were
made and stained. The incidence of micronucleated cells per
2000 polychromatic erythrocytes (PCE) per animal was scored.
In addition, the number of normochromatic erythrocytes (NCE)
associated with 1000 erythrocytes was counted; these cells
were also scored for incidence of micronuclei.

Results

Effect on
PCE/NCE ratio: None
Genotoxic effects: Negative

NOEL: 2000 mg/kg

UNEP PUBLICATIONS 755


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
Remarks: There were no premature deaths or clinical signs
observed in any of the dose groups. There was no
evidence of a significant increase in the incidence of
micronucleated polychromatic erythrocytes in animals
dosed with the test material when compared to the
concurrent vehicle control groups. No statistically
significant decreases in the PCE/NCE ratio were observed
in the 24 or 48-hour test material dose groups when
compared to their concurrent control groups.

The positive control material produced a marked increase


in the frequency of micronucleated polychromatic
erythrocytes.

The test material, C20-24 Alkenes, Branched and Linear,


was considered to be non-genotoxic under the conditions
of the test.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Durward R (1998) C20-24 Alkenes, Branched and Linear:


Micronucleus Test in the Mouse, SafePharm Laboratories
Limited Project No. 703-121. Conducted for Chevron
Research and Technology Company (unpublished report).

5.8 Carcinogenicity

Test Substance: CAS No. 112-88-9, 1-Octadecene

Method

Species: mouse
Strain: Rockland
Sex: No data
Route of
Administration: Dermal
Frequency of
Treatment: Treated on 3 alternate days
Doses: 0.2 ml undiluted test material was applied topically to
the shorn dorsal skin of mice, 3 or 4 animals/treatment group and 25
untreated controls
Control Group: Yes, concurrent, no treatment

Test Condition:
Mice, aged 7-10 weeks, were treated with 1-octene, 1-decene,1-
dodecene, 1-tetradecene, 1-hexadecene, or 1-octadecene. The
study was concerned with the measurement of changes in the
skin sterols cholesterol and D7 cholestanol for the early
assessment of skin carcinogenesis. Hyperplasia was evaluated
by weight of epidermis/square cm.

Additionally, the appearance of the sebaceous glands is


described following topical administration of alkenes and
other products including carcinogens. The hypothesis was that
the D7-cholestenol, depletion of which appeared indicative of
carcinogenic activity, was concentrated in the sebaceous
glands.

756 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
Results: It was found that the alkenes tested produced hyperplasia
with a parallel increase in epidermal cholesterol while D7
cholestanol remained uniform, a pattern seen with the tumour
promoter croton oil. This is in contrast to known carcinogens
where the increase in epidermal weight and cholesterol is
usually accompanied by a decrease in D7 cholestanol. The
maximum activity for the series of alkenes was at C14.

There was damage to the sebaceous glands with known


carcinogens or croton oil, but not with octadecene. This
suggests that the pattern of hyperplasia seen following
topical application of alkenes is not indicative of skin
carcinogenic activity.

References: Brooks, S.C. and C.A. Baumann (1956) Skin Sterols, X. Studies
with certain hyperplasia-inducing hydrocarbons. Cancer Res.
16: 357-363. Brooks, S.C., J. J. Lalich, and C.A. Baumann
(1957) Skin Sterols, XII. Contrasting effects of certain
mercaptans, amines, and related compounds on sterols and
sebaceous glands. Cancer Research 17: 148-153.

5.9 Reproductive Toxicity (including Fertility and Developmental Toxicity).

A. Fertility

(1) Test Substance

Identity (purity): CAS 27070-58-2, Octadecenes; CAS 182636-02-


8, Branched Octadecenes

Remarks: Test substance identified as Octadecene C18


Compound; 96.7% C18 olefins; 1.84% C16 olefins,
0.95% C20 olefins; 3.30% normal alpha olefins;
32.5% methyl branched isomers; 67.5% linear
olefins.

Method

Method/guideline: 0ECD 421 (see Section 5.9.B for developmental


toxicity endpoints)

Type: Reproduction/Developmental Toxicity Screening Test


GLP: Yes
Year: 2003
Species: Rat
Strain: Sprague-Dawley
Route of
administration: Oral gavage
Concentration levels: 0, 100, 500 and 1000 mg/kg/day
Sex: Male and female
Control group
and treatment: Corn oil by oral gavage (5 mL/kg)
Frequency of treatment: Daily
Duration of test: Through lactation day 4 for pups
Premating exposure
period for males: Two weeks
Premating exposure
period for females: Two weeks

UNEP PUBLICATIONS 757


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
Statistical methods: Data, including body weights, body weight
changes, food consumption, implantation sites,
corpora lutea, gestation length and mean live
litter size, were analyzed by ANOVA. If
significance was observed with ANOVA, control to
treatment group comparisons were performed using
Dunnett’s test. Count data were analyzed using R x
C Chi-Square test followed by Fisher’s Exact Test
for copulation and fertility indices, pup sex
ratios, the number of live and dead pups per group
(on lactation day 0) and pup survival (after
lactation day 0). Absolute and relative organ
weights were analyzed for homogeneity of variance
using Bartlett’s test. If significance was
detected with Bartlett’s test (p<0.01), multiple
group comparisons proceeded using the Kruskal-
Wallis non-parametric ANOVA, followed by Dunn’s
test, when p<0.05. If significance was not
detected with Bartlett’s test, parametric
procedures were used to analyze the data, i.e.,
ANOVA followed by Dunnett’s test when p<0.05. All
statistical analyses were performed using the SLI
Alpha ReproTox computer system (version 1.5.3 or
later). All analyses were two-tailed with a
minimum significance level of 5% (p<0.05).

Test Conditions: On day –1, animals were 9 wks of age with body
weights ranging from 311 to 394 g for males and
201 to 262 g for females. The study consisted of a
vehicle control and three treatment groups, with
12 males and 12 females in each group. Octadecenes
C18 Compound was dissolved in corn oil and
administered at dosage levels of 100, 500 and 1000
mg/kg/day, once daily by oral gavage, to F0
parental animals. All doses
were given at a constant volume of 5 mL/kg.
Control animals were administered corn oil under
the same experimental conditions at an equivalent
dose volume. F0 males were treated for two weeks
prior to mating, during mating and four weeks
following mating. F0 females were treated for two
weeks prior to mating, during mating, during
gestation and following parturition. Males and
females were dosed up to and including the day
prior to scheduled euthanasia. Following a minimum
of 2 wks of treatment, each female was cohabited
with a single male randomly selected from the same
treatment group (1:1 pairing). Evidence of mating
was determined by the presence of a copulatory
plug in the vagina or a sperm positive vaginal
smear. On approximately gestation day 18, females
with confirmed copulation were transferred to
individual boxes containing nesting material.
Females and offspring remained together until
lactation day 4. Both F0 parental animals and F1
offspring were closely examined for indications of
toxicity. Experimental endpoints included clinical
observations (cage-side observations daily and
detailed observations weekly; during gestation and
lactation, detailed observations performed daily
for F0 females), body weights (Males: weekly and

758 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
on day of euthanasia. Females: weekly until
evidence of mating observed, and on gestation days
0, 7, 14 and 20; following parturition, on
lactation days 1 and 4), food consumption (same
days as body weights except during cohabitation),
mating, parturition, lactation and offspring
growth and viability. All F0 and F1 animals were
subjected to a gross necropsy examination at the
time of death or euthanasia on lactation day 4.
Uterine contents were examined and the number of
implantation sites and number of corpora lutea
were recorded. All abnormalities were recorded.
Testes and epididymides were weighed. The
following organs were preserved: gross lesions,
ovaries, prostate, epididymides, testes, seminal
vesicles, uterus, vagina. Ovaries, testes and
epididymides from control and high-dose animals
were examined for histopathology. F1 pups were
examined for viability (daily on days 0-4),
external examinations (days 0 and 4), sex
determinations (days 0 and 4), body weights (days
1 and 4).

Results

NOAEL: NOAEL Parental (reproductive toxicity) = 1000


mg/kg
NOAEL for F1 offspring = 1000 mg/kg/day

Actual dose received


by dose level by
sex if known: All dosing formulations were found to be within
20% of the stated concentration.

Remarks: All animals in the vehicle control, 100, 500 and


1000 mg/kg/day groups survived to scheduled
euthanasia. Most of the clinical signs that were
observed during the course of the study were
generally unremarkable in both F0 males and
females and
did not appear to follow any dose response
pattern. There were no statistically significant
or toxicologically meaningful differences noted in
F0 mean body weights, body weight change or food
consumption between the vehicle control and test
article-treated groups. The F0 female mating and
fertility indices and mean gestation lengths were
comparable between the vehicle control and test
article-treated groups. The mean number of F0
implantation sites and corpora lutea, the mean
number of F1 pups delivered, the live birth and
viability indices, and the mean live pups per
litter and pup sex ratio on lactation days 0 and 4
were comparable between the control and test
article-treated groups. No remarkable internal
gross necropsy findings were noted for F0 males or
females in the vehicle control or test article-
treated groups at scheduled euthanasia. There were
no statistically significant or toxicologically
meaningful differences in the absolute or relative
testes or epididymides weights of F0 males in the

UNEP PUBLICATIONS 759


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
test article-treated groups compared to controls.
There were no test article-related microscopic
lesions noted in the testes, epididymides or
ovaries from the vehicle control and 1000
mg/kg/day groups. Based on the results of this
study, a dosage level of 1000 mg/kg/day was
considered a no-observed-adverse-effect level
(NOAEL) for reproductive effects.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Thorsrud, B.A. (2003) An oral (gavage)


reproduction/ developmental toxicity screening
study in Sprague Dawley rats with (C18)
Octadecenes. Report No. 3604.1. Conducted by
Springborn Laboratories, Spencerville, OH, for
American Chemistry Council Higher Olefins Panel
(unpublished study).

(2) Test Substance

Identity (purity): C16/18 isomerised olefin


Remarks: C14-0.4%, C16-53.6%, C18-37.6%, C20-7.9%, C22-
0.5%. Linear terminal 1.8%, linear internal 71.9%,
Branched terminal 15.6% Trisubstituted 10.7%.

Method

Method/guideline: OECD 407 (see Section 5.5A for general toxicity


endpoints)
Test type: Subacute toxicity
GLP: Yes
Year: 2000
Species: Rat
Strain: Sprague Dawley (crl:CD BR)
Route of
Administration: Oral gavage

Duration of test: 4 weeks


Doses: 0, 25, 150, or 1000 mg/kg./day
Sex: Males and females
Exposure period: 4 weeks
Frequency
of treatment: Once daily, 7 days/week

Control group
and treatment: Concurrent vehicle control (corn oil)

Post exposure
observation period: None

Statistical methods: Analysis of variance (Snedecor and Cochran,


1980) Kruskal-Wallis non-parametric analysis
(Hollander and Wolfe, 1973) Fisher’s Exact
Probability test (Siegel 1956)

Test Conditions: Groups of ten rats (5M:5F) were dosed orally by


gavage once daily over a period of 28 days.

760 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
Animals were approximately 41 days old on the
first day of dosing. Animals were regularly
monitored for any signs of ill health or reaction
to treatment. Detailed functional observations
were performed weekly, with additional functional
observations performed during pretrial and week
four. Body weights and food consumption were
recorded twice weekly. Blood and urine samples
were collected during week four of the study.
After four weeks of treatment, animals were
sacrificed and subjected to necropsy. A
comprehensive list of organs were weighed and /or
preserved (adrenal, brain, epididymis, eye,
gastrointestinal tract including stomach,
duodenum, jejunum, ileum, caecum, colon, rectum,
heart, kidney, liver, lung, bone marrow,
mesenteric lymph node, ovary, pituitary, prostate,
sciatic nerve, spinal cord, spleen, submandibular
lymph node, testis, thymus, thyroid with
parathyroid, trachea, urinary bladder, uterus).
Tissues from the controls and high dose animals
were subjected to histological examination.
Histology was also performed on the male kidneys
from the lower doses.

Results

NOAEL (NOEL): The NOEL for reproductive effects from limited


data (effect on reproductive organs) appears to be
1000 mg/kg/day (the highest dose tested).

Actual dose received


by dose level by
sex if known: Actual doses for both sexes were 0, 25, 150,
or 1000 mg/kg/day

Remarks: Please see Repeated Dose Toxicity, Section 5.5 A


for general toxicity results. There was no
evidence of toxicity to reproductive organs in
animals treated at levels up to 1000 mg/kg/day.

Reliability: (1) Reliable without restrictions.

References: Clubb, S. (2000) AmoDrill 1000 4-Week Toxicity


Study Including Neurotoxicity Screening in Rats
with Administration by Gavage. Inveresk Project
Number 454729. Inveresk Report Number 17561.
Inveresk Research Tranent EH33 2NE Scotland.
Sponsor Amoco Corporation (unpublished report).

(3) Test Substance

Identity (purity): CAS Nos. C20=182636-03-9, C22=182636-04-0,


C24=182636-05-1; C20-24 Alkenes, Branched and
Linear (even-numbered carbons only)
( <1% C18’s, 40-44% C20’s, 35-39% C22’s, 18-22%
C24’s, <1% C26’s; >70% branched)

UNEP PUBLICATIONS 761


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
Method

Method/guideline: OECD 408 See Section 5.5 B for general


toxicity endpoints)
Test type: Subchronic Oral Toxicity - Rodent: 90-
day study
GLP: Yes
Year: 1999
Species: Rat
Strain: Crl:CD BR
Route of
Administration: Oral gavage

Duration of test: 17 weeks


Doses: 0, 100, 500, and 1000 mg/kg /day
Sex: Males and females
Exposure period: 13 weeks
Frequency
of treatment: Once daily

Control group
and treatment: Concurrent vehicle control (corn oil)

Post exposure
observation period: 4 weeks

Statistical methods: See Section 5.5.B

Test Conditions: See Section 5.5.B

Results

NOAEL (NOEL): The NOEL for reproductive effects from limited


data (effect on reproductive organs) appears to be 1000 mg/kg/day
(the highest dose tested)

Actual dose received


by dose level by
sex if known: The mean concentration of C20-24 alkenes, branched
and linear, in test formulations analyzed during
the study were within ± 12% of nominal
concentrations, confirming the accuracy of
formulation.

Remarks: Please see Repeated Dose Toxicity, Section 5.5 B


for general toxicity results. There was no
evidence of toxicity to reproductive organs in
animals treated at levels up to 1000 mg/kg/day.

Reliability: (1) Reliable without restrictions.

References: Brooker AJ (1999) C20-24 Alkenes, Branched and


Linear: Toxicity Study By Oral Gavage
Administration to CD Rats for 13 Weeks Followed by
a 4-Week Recovery Period, Huntingdon Life Sciences
Project Nos. CHR/052 and CHR/053. Conducted for
Chevron Research and Technology Company
(unpublished report).

762 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005

B. Developmental Toxicity

Test Substance

Identity (purity): CAS 27070-58-2, Octadecenes; CAS 182636-02-8,


Branched Octadecenes

Remarks: Test substance identified as Octadecene C18 Compound;


96.7% C18 olefins; 1.84% C16 olefins, 0.95% C20
olefins; 3.30% normal alpha olefins; 32.5% methyl
branched isomers; 67.5% linear olefins.

Method/guideline: 0ECD 421 (see Section 5.9.A(1) for reproductive


toxicity endpoints)
Type: Reproduction/Developmental Toxicity Screening Test
GLP: Yes
Year: 2003
Species: Rat
Strain: Sprague-Dawley
Route of
administration: Oral gavage
Concentration levels: 0, 100, 500 and 1000 mg/kg/day
Sex: Male and female
Control group
and treatment: Corn oil by oral gavage (5 mL/kg)
Frequency of treatment: Daily
Duration of test: Through lactation day 4 for pups
Premating exposure
period for males: Two weeks
Premating exposure
period for females: Two weeks
Statistical methods: Data, including body weights, body weight changes,
food consumption, implantation sites, corpora lutea,
gestation length and mean live litter size, were
analyzed by ANOVA. If significance was observed with
ANOVA, control to treatment group comparisons were
performed using Dunnett’s test. Count data were analyzed
using R x C Chi-Square test followed by Fisher’s Exact
Test for copulation and fertility indices, pup sex
ratios, the number of live and dead pups per group (on
lactation day 0) and pup survival (after lactation day
0). Absolute and relative organ weights were analyzed
for homogeneity of variance using Bartlett’s test. If
significance was detected with Bartlett’s test (p<0.01),
multiple group comparisons proceeded using the Kruskal-
Wallis non-parametric ANOVA, followed by Dunn’s test,
when p<0.05. If significance was not detected with
Bartlett’s test, parametric procedures were used to
analyze the data, i.e., ANOVA followed by Dunnett’s test
when p<0.05. All statistical analyses were performed
using the SLI Alpha ReproTox computer system (version
1.5.3 or later). All analyses were two-tailed with a
minimum significance level of 5% (p<0.05).

Test Conditions: The study consisted of a vehicle control and three


treatment groups, with 12 males and 12 females in each
group. Octadecenes C18 Compound was dissolved in corn
oil and administered at dosage levels of 100, 500 and
1000 mg/kg/day, once daily by oral gavage, to F0

UNEP PUBLICATIONS 763


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
parental animals. All doses were given at a constant
volume of 5 mL/kg. Control animals were administered
corn oil under the same experimental conditions at an
equivalent dose volume. F0 males were treated for two
weeks prior to mating, during mating and four weeks
following mating. F0 females were treated for two weeks
prior to mating, during mating, during gestation and
following parturition. Males and females were dosed up
to and including the day prior to scheduled euthanasia.
See Section 5.9.A.(1) for additional details.

Results

NOAEL: NOAEL for maternal toxicity = 1000 mg/kg/day


NOAEL for developmental toxicity = 1000 mg/kg/day

Actual dose received


by dose level by
sex if known: All dosing formulations were found to be within 20% of
the stated concentration.

Maternal and Paternal


general toxicity: No toxicologically meaningful effects seen at 1000
mg/kg/day (see Section 5.9.A.(1) for details)

Remarks: The mean number of F0 implantation sites and corpora


lutea, the mean number of F1 pups delivered, the live
birth and viability indices, and the mean live pups per
litter and pup sex ratio on lactation days 0 and 4 were
comparable between the control and test article-treated
groups. No remarkable findings were noted in the pups
during lactation days 0-4. There were no statistically
significant or toxicologically meaningful differences in
mean pup weights in the test article-treated groups
compared to controls on lactation days 1 and 4. No
remarkable gross necropsy findings were noted for pups
found dead, euthanized for cause or euthanized on
lactation day 4. Based on the results of this study, a
dosage level of 1000 mg/kg/day was considered a no-
observed-adverse-effect level (NOAEL) for developmental
effects.

Reliability: (1) Reliable without restrictions

Flag: Key study for SIDS endpoint

References: Thorsrud, B.A. (2003) An oral (gavage)


reproduction/developmental toxicity screening study in
Sprague Dawley rats with (C18) Octadecenes. Report No.
3604.1. Conducted by Springborn Laboratories,
Spencerville, OH, for American Chemistry Council Higher
Olefins Panel (unpublished study).

5.10 Other Relevant Information

A. Aspiration

Test Substance

Identity: CAS No. 112-88-9, 1-Octadecene

764 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005

Method

Type: General toxicity – aspiration


Species: Rat
Strain: Wistar
Sex: Male
Route of
Administration: aspiration
Dose: 0.2 mL

Results: See Remarks

Remarks: C6-C18 alkenes (even carbon numbers, alpha olefins),


source and purity unspecified, were assessed for
aspiration hazard in an animal study using Wistar rats.
Four or five males were used per test article. Two-
tenths mL of the test material was placed in the mouths
of rats that had been anesthetized to the point of apnea
in a covered wide mouth gallon jar containing about 1
inch of wood shavings moistened with approximately 1
ounce of anhydrous diethyl ether. As the animals began
to breathe again, the nostrils were held until the test
material had been aspirated or the animal regained
consciousness. All alkenes tested except 1- hexene were
aspirated into the lungs. 1-Hexene was difficult to
dose because of its volatility. Two animals survived
because the hydrocarbon “boiled” out of the mouth before
it was aspirated. All animals exposed to C8 to C14 died
within 24 hours. With C16 and C18, there was only one
death (C18). Lung weights were increased in alkenes-
treated animals compared with controls. The affected
animals showed chemical pneumonitis. The report
concluded that there is a significant aspiration hazard
with C6 to C14 alkenes.

Reference: Gerarde, H.W. (1963) Toxicological Studies on


Hydrocarbons. Archives of Environmental Health, 6:329-
341.

B. Neurotoxicity

(1) Test Substance

Identity (purity): C16/18 isomerised olefin


Remarks: C14-0.4%, C16-53.6%, C18-37.6%, C20-7.9%, C22-
0.5%. Linear terminal 1.8%, linear internal 71.9%,
Branched terminal 15.6% Trisubstituted 10.7%.

Method

Method/guideline: OECD 407 (see Sec. 5.5.A for general toxicity


endpoints)
Test type: subacute toxicity
GLP: Yes
Year: 2000
Species: Rat
Strain: Sprague Dawley (crl:CD BR)
Route of
Administration: Oral gavage

UNEP PUBLICATIONS 765


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005

Duration of test: 4 weeks


Doses: 0, 25, 150, or 1000 mg/kg./day
Sex: Males and females
Exposure period: 4 weeks
Frequency
of treatment: Once daily, 7 days/week

Control group
and treatment: Concurrent vehicle control (corn oil)

Post exposure
observation period: None

Statistical methods: Analysis of variance (Snedecor and Cochran,


1980) Kruskal-Wallis non-parametric analysis
(Hollander and Wolfe, 1973) Fisher’s Exact
Probability test (Siegel 1956)

Test Conditions: See Section 5.5.A

Results

NOAEL (NOEL): NOAEL = 1000 mg/kg/day (neurotoxicity)

Actual dose received


by dose level by
sex if known: Actual doses for both sexes were 0, 25, 150, or
1000 mg/kg/day.

Remarks: See Sec. 5.5.A for general toxicity results.

There was no evidence of neurotoxicity noted in


animals treated at levels up to 1000 mg/kg/day.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint.

References: Clubb, S. (2000) AmoDrill 1000 4-Week Toxicity


Study Including Neurotoxicity Screening in Rats
with Administration by Gavage. Inveresk Project
Number 454729. Inveresk Report Number 17561.
Inveresk Research Tranent EH33 2NE Scotland.
Sponsor Amoco Corporation (unpublished report).

(2) Test Substance

Identity (purity): CAS Nos. C20=182636-03-9, C22=182636-04-0,


C24=182636-05-1; C20-24 Alkenes, Branched
and Linear (even-numbered carbons only)
( <1% C18’s, 40-44% C20’s, 35-39% C22’s, 18-
22% C24’s, <1% C26’s; >70% branched)

Method

Method/guideline: OECD 408 (see Sec. 5.5.B for general


toxicity endpoints)
Test type: Subchronic Oral Toxicity - Rodent: 90-day
Study

766 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
5. TOXICITY ID: 112-88-9
DATE: 28.04.2005
GLP: Yes
Year: 1999
Species: Rat
Strain: Crl:CD BR
Route of
Administration: Oral gavage

Duration of test: 17 weeks


Doses: 0, 100, 500, and 1000 mg/kg /day
Sex: Males and females
Exposure period: 13 weeks
Frequency
of treatment: Once daily

Control group
and treatment: Concurrent vehicle control (corn oil)

Post exposure
observation period: 4 weeks

Statistical methods: See Section 5.5.B

Test Conditions: See Section 5.5.B

Results

NOAEL (NOEL): 1000 mg/kg/day (neurotoxicity)

Actual dose received


by dose level by
sex if known: The mean concentration of C20-24 alkenes, branched
and linear, in test formulations analyzed during
the study were within ± 12% of nominal
concentrations, confirming the accuracy of
formulation.

Remarks: See Sec. 5.5.B for general toxicity results.

In the 13-wk study, no neurobehavioral effects


were noted.

Reliability: (1) Reliable without restrictions.

Flag: Key study for SIDS endpoint.

References: Brooker AJ (1999) C20-24 Alkenes, Branched and


Linear: Toxicity Study By Oral Gavage
Administration to CD Rats for 13 Weeks Followed by
a 4-Week Recovery Period, Huntingdon Life Sciences
Project Nos. CHR/052 and CHR/053. Conducted for
Chevron Research and Technology Company
(unpublished report).

5.11 Experience with Human Exposure

No data available

UNEP PUBLICATIONS 767


OECD SIDS 1-OCTADECENE
6. REFERENCES ID: 112-88-9
DATE: 28.04.2005
American Chemistry Council’s Higher Olefins Panel (2002) Personal communication.

Boethling, R.S., P.H. Howard, W. Meylan, W. Stiteler, J. Beaumann and N. Tirado


(1994) Group contribution method for predicting probability and rate of aerobic
biodegradation. Environ. Sci. Technol. 28:459-65.

Brooker AJ (1999) C20-24 Alkenes, Branched and Linear: Toxicity Study By Oral
Gavage Administration to CD Rats for 13 Weeks Followed by a 4-Week Recovery
Period, Huntingdon Life Sciences Project Nos. CHR/052 and CHR/053. Conducted for
Chevron Research and Technology Company (unpublished report).

Brooks, S.C. and C.A. Baumann (1956) Skin Sterols, X. Studies with certain
hyperplasia-inducing hydrocarbons. Cancer Res. 16: 357-363.

Brooks, S.C., J. J. Lalich, and C.A. Baumann (1957) Skin Sterols, XII.
Contrasting effects of certain mercaptans, amines, and related compounds on
sterols and sebaceous glands. Cancer Research 17: 148-153.

Buehler, E.V. (1965) Delayed contact hypersensitivity in the guinea pig,


Archives of Dermatology 91:171-177.

Chevron Phillips Chemical Company Product Brochure, Company test results,


Chevron Phillips Chemical Company, The Woodlands, TX.

Chevron Phillips Chemical Company MSDS, The Woodlands, TX.

Chevron Phillips Chemical Company, The Woodlands, TX. (unpublished report).


Clubb, S. (2000) AmoDrill 1000 4-Week Toxicity Study Including Neurotoxicity
Screening in Rats with Administration by Gavage. Inveresk Project Number 454729.
Inveresk Report Number 17561. Inveresk Research Tranent EH33 2NE Scotland.
Sponsor Amoco Corporation (unpublished report).

Cook K. (1985) C18 Linear Alpha Olefin: An Assessment of Ready Biodegradability.


Shell Research Limited, Sittingbourne Research Center. Shell Report #
SBGR.85.115 (unpublished report).

Daubert, T.E. and R.P. Danner (1989) Physical and Thermodynamic Properties of
Pure Chemicals: Data Compilation; Design Institute for Physical Property Data,
American Institute of Chemical Engineers. Hemisphere Pub. Corp., New York, NY;
EPIWIN (2000). Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

Dean BJ. Shell Chemicals Europe Ltd. (1980) Toxicity Studies with Detergent
Intermediates: In Vitro Genotoxicity Studies with SHOP Process Intermediates.
Shell Toxicology Laboratory (Tunstall). Shell Report # TLGR.80.074 (unpublished
report).

Driscoll, R. (1996) Acute dermal irritation test in the rabbit with GULFTENE 18,
Report 703/081. Conducted by Safepharm Laboratories Ltd. for Chevron Research
and Technology Company (unpublished report).

Driscoll R (1998) C20-24 Alkenes, Branched and Linear: Acute Dermal Toxicity
Study in The Rat, SafePharm Laboratories Limited Project No. 703/117. Conducted
for Chevron Research and Technology Company (unpublished report).

Driscoll R (1998) C20-24 Alkenes, Branched and Linear: Acute Oral Toxicity Study
in The Rat, SafePharm Laboratories Limited Project No. 703/116. Conducted for
Chevron Research and Technology Company (unpublished report).

Durward R (1998) C20-24 Alkenes, Branched and Linear: Micronucleus Test in the
Mouse, SafePharm Laboratories Limited Project No. 703-121. Conducted for
Chevron Research and Technology Company (unpublished report).

768 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
6. REFERENCES ID: 112-88-9
DATE: 28.04.2005
Environment & Resource Technology Ltd. (1997) Assessment of the aquatic-phase
toxicity of C16-C18 Alpha Olefin Isomerized Base Fluid to the marine fish,
Scopthalmus maximus, Study No. 074-5-1. Conducted for Chevron Chemical Company
(unpublished report).

Environment & Resource Technology Ltd. (1999) Assessment of ready aerobic


degradability of C16/C18 isomerized olefin base fluid in seawater. Study No.
074-9. Conducted for Chevron Chemical Company (unpublished report).

EPIWIN (2000) Estimation Program Interface for Windows, version 3.11. EPI
Suite™ software, U.S. Environmental Protection Agency, Office of Pollution
Prevention and Toxics, U.S.A.

Ethyl Corporation (1973) (unpublished report).

Gerarde, H.W. (1963) Toxicological Studies on Hydrocarbons. Archives of


Environmental Health, 6:329-341.

Gould, E.S. (1959) Mechanism and Structure in Organic Chemistry, Holt, Reinhart
and Winston, New York, NY, USA.

Gulf Life Sciences Center (1982) Acute Oral Toxicity Test in Albino Rats Using
Alpha Olefin Fraction C20-24, Report No. 82-030 (unpublished report).

Gulf South Research Institute, New Iberia, Louisiana (1977) Toxicological


Evaluation of Ethyl Compound 100-527 Prepared for Ethyl Corporation (unpublished
report).

Handley, JW and Mead C (1998). Assessment of Ready Biodegradability; CO2


Evolution Test, SafePharm Laboratories Limited, Project No. 703/127. Conducted
for Chevron Research and Technology Company (unpublished report).

Handley JW, Mead C, and Bartlett AJ (1998) C20-24 Alkenes, Branched and Linear:
Algal Inhibition Test, SafePharm Laboratories Limited Project No. 703/125.
Conducted for Chevron Research and Technology Company (unpublished report).

Handley JW, Sewell IG, and Bartlett AJ (1998) C20-24 Alkenes, Branched and
Linear: Acute Toxicity To Rainbow Trout, SafePharm Laboratories Limited Project
No.703/123. Conducted for Chevron Research and Technology Company (unpublished
report).

Handley JW, Wetton PM, and Bartlett AJ (1998) C20-24 Alkenes, Branched and
Linear: Acute Toxicity To Daphnia Magna, SafePharm Laboratories Limited Project
No. 703/124. Conducted for Chevron Research and Technology Company (unpublished
report).

Harris J C (1982a). Rate of Aqueous Photolysis. Chapter 8 in: W. J. Lyman, W. F.


Reehl, and D. H. Rosenblatt, eds., Handbook of Chemical Property Estimation
Methods, McGraw-Hill Book Company, New York, USA

Harris, J.C. (1982b) "Rate of Hydrolysis," Chapter 7 in: W.J. Lyman, W.F. Reehl,
and D.H. Rosenblatt, eds., Handbook of Chemical Property Estimation Methods,
McGraw-Hill Book Company, New York, NY, USA.

Howard, P.H., R.S. Boethling, W.M. Stiteler, W.M. Meylan, A.E. Hueber, J.A.
Beauman and M.E. Larosche (1992) Predictive model for aerobic biodegradability
developed from a file of evaluated biodegradation data. Environ. Toxicol. Chem.
11:593-603.

Huntingdon Research Centre (1993) Gulftene 20-24 (water accommodated fraction)


Algal Growth Inhibition, Project No. CHR 46(A)/930362. Conducted for Chevron
Research and Technology Company (unpublished report).

UNEP PUBLICATIONS 769


OECD SIDS 1-OCTADECENE
6. REFERENCES ID: 112-88-9
DATE: 28.04.2005
Huntingdon Research Centre (1993) Gulftene 20-24 (water accommodated fraction)
acute toxicity to rainbow trout, Project CHR 46(D)/930361. Conducted for
Chevron Research and Technology Company (unpublished report).

IUCLID (2000) European Commission European Chemicals

Joback, K.G. 1982. A Unified Approach to Physical Property Estimation Using


Multivariate Statistical Techniques. In The Properties of Gases and Liquids.
Fourth Edition. 1987. R.C. Reid, J.M. Prausnitz and B.E. Poling, Eds.

Lyman, W.J., W.F. Reehl and D.H. Rosenblatt, Eds. (1990) Handbook of Chemical
Property Estimation. Chapter 14. Washington, D.C.: American Chemical Society.

Mead, C. (1998) C20-24 Alkenes, Branched and Linear: Activated Sludge


Respiration Inhibition OECD 209. Conducted by Safepharm Laboratories, Ltd.,
Project No. 703/126. Report to Chevron Research and Technology Company
(unpublished report).

Mead C (2000). C24-30 alkenes, branched and linear: Assessment of ready


biodegradability; CO2 evolution test, SafePharm Laboratories Limited, Project
No. 703/214. Conducted for Chevron Research and Technology Company (unpublished
report).

Meylan, W. and P. Howard (1995) Atom/fragment contribution method for estimating


octanol-water partition coefficients. J. Pharm. Sci. 84:83-92.

Meylan, W., P. Howard and R. Boethling (1996) Improved method for estimating
water solubility from octanol/water partition coefficient. Environ. Toxicol.
Chem. 15:100-106.

Meylan, W.M. and Howard, P.H. (1993) Computer estimation of the atmospheric
gas-phase reaction rate of organic compounds with hydroxyl radicals and ozone.
Chemosphere 26: 2293-99

Meylan,WM, Howard,PH, Boethling,RS et al. (1999) Improved method for estimating


bioconcentration / bioaccumulation factor from octanol/water partition
coefficient. Environ. Toxicol. Chem. 18(4): 664-672.

Morris, T. (1995) Acute dermal irritation screening study in rabbits with


C16/C18 Alpha Olefins, Isomerized. Conducted by Hill Top Biolabs, Inc., Project
No. 94-8345-21 (A), for Chevron Research and Technology Company (unpublished
report).

Morris, T. (1995) Acute eye irritation screening study in rabbits with C16/C18
Alpha Olefins, Isomerized. Conducted by Hill Top Biolabs, Inc., Project No. 94-
8346-21 (A), for Chevron Chemical Company (unpublished report).

Morris, T. (1995) Delayed contact hypersensitivity study in guinea pigs (Buehler


technique). Conducted by Hill Top Biolabs, Inc., Project No. 94-8414-21, for
Chevron Research and Technology Company (unpublished report).

Neely and Blau (1985) Environmental Exposure from Chemicals, Volume 1, p. 31,
CRC Press.

Neely, W. B. 1985. Hydrolysis. In: W. B. Neely and G. E. Blau, eds.


Environmental Exposure from

Chemicals. Vol I., pp. 157-173. CRC Press, Boca Raton, FL, USA.

NLM (2003). TRI (Toxic Release Inventory). U.S. National Library of Medicine,
Specialized Information Services, National Institutes of Health, Department of
Health and Human Services. September 2003 (http://toxnet.nlm.nih.gov).

770 UNEP PUBLICATIONS


OECD SIDS 1-OCTADECENE
6. REFERENCES ID: 112-88-9
DATE: 28.04.2005
Pearson N. (1985) C18 Linear Alpha Olefin (1-Octadecene): Acute Toxicity (Salmo
gairdneri, Daphnia magna and Selenastrum capricornutum) and n-octanol/water
coefficient. Shell Research Limited, Sittingbourne Research Center. Shell Report
# SBGR.85.059 (unpublished report).

Research Institute of Organic Synthesis a.s (1990) Pardubice, Czech republic,


Test No. T2102 (unpublished report).

Ritz, H.L. and E.V. Buehler (1980) Planning, conduct and interpretation of
guinea pig sensitization patch tests in Current Concepts in Cutaneous Toxicity,
ed. V. Drill and P. Lazar. Academic Press, New York, N.Y. pp. 25-42.

Shell Oil Company (1991) Primary skin irritation study in rabbits of Neodene 18
alphaolefin. Ref. 91-8383-21 (unpublished report).

Shell Oil Company (1992) Delayed contact hypersensitivity study in guinea pigs
(Buehler technique): Neodene 18 alpha olefin. Ref 91-8383-21(B) (unpublished
report).

Shell Oil Company (1992) Evaluation of primary irritation potential of Neodene


18 in humans. Single 24 hour application. Report 92-1388-70A. (unpublished
report).

Shell Oil Company (1992) Repeated insult patch test of NEODENE 18 in humans.
Report No. 92-1388-70B. (unpublished report).

Stein, S. and R. Brown (1994) Estimation of normal boiling points from group
contributions (1994) J. Chem. Inf. Comput. Sci. 34: 581-587.

Stillmeadow, Inc. (1993) Acute Dermal Toxicity Study in Rabbits, Study No.
0487-93. Conducted for Chevron Chemical Company (unpublished report).

Stillmeadow, Inc. (1993) C18 Alpha Olefin, Isomerized: Acute Oral Toxicity
Study in Rats, Study No. 0486-93. Conducted for Chevron Chemical Company
(unpublished report).

Technology Company (unpublished report).

Thermodynamics Tables, Texas A&M University, College Station, Texas, USA.

Thompson PW (1998) C20-24 Alkenes, Branched and Linear: Salmonella typhimurium


and Escherichia coli/Mammalian-Microsome Reverse Mutation Assay, SafePharm
Laboratories Limited Project No. 703/086. Conducted for Chevron Research and
Technology Company (unpublished report).

Thorsrud, B.A. (2003) An oral (gavage) reproduction/ developmental toxicity


screening study in Sprague Dawley rats with (C18) Octadecenes. Report No.
3604.1. Conducted by Springborn Laboratories, Spencerville, OH, for American
Chemistry Council Higher Olefins Panel (unpublished study).

Toxicology Evaluation of Ethyl Compound 100-494 (1977) Gulf South Research


Institute P.O. Box 1177 New Iberia, LA 70560 (unpublished report).

Toxicology Evaluation of Ethyl Compound 100-527 (1977) Gulf South Research


Institute P.O. Box 1177 New Iberia, LA 70560 (unpublished report).

Toxicology Evaluation of Ethyl Compound 100-606 (1977) Gulf South Research


Institute P.O. Box 1177 New Iberia, LA 70560 (unpublished report).

Trent University (2004). Level I Fugacity-based Environmental Equilibrium


Partitioning Model (Version 3.00) and Level III Fugacity-based Multimedia
Environmental Model (Version 2.80.1. Environmental Modeling Centre, Trent
University, Peterborough, Ontario.

(Available at http://www.trentu.ca/cemc)

UNEP PUBLICATIONS 771


OECD SIDS 1-OCTADECENE
6. REFERENCES ID: 112-88-9
DATE: 28.04.2005
Tunkel, J. P.H. Howard, R.S. Boethling, W. Stiteler and H. Loonen (2000)
Predicting ready biodegradability in the MITI Test. Environ. Toxicol. Chem.
(accepted for publication)

U.S. Environmental Protection Agency, Review by Dr. L. Scarano, OPPT/Risk


Assessment Division.

Watkinson, R.J. (1985) C18 Linear Alpha Olefin: An Assessment of Ready


Biodegradability. Shell Research Limited, Sittingbourne Research Center. Shell
Report # SBGR.85.115 (unpublished report).

Wright NP (1998) C20-24 Alkenes, Branched and Linear: Chromosome Aberration


Test in Human Lymphocytes In Vitro, SafePharm Laboratories Limited Project No.
703/122. Conducted for Chevron Research and Technology Company (unpublished
report).

Zepp, R. G. and D. M. Cline (1977). Rates of Direct Photolysis in the Aqueous


Environment, Environ. Sci. Technol., 11:359-366.

772 UNEP PUBLICATIONS

You might also like