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FOREWORD INTRODUCTION
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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.
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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).
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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
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.
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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
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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.
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1 IDENTITY
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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.
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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)
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
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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.
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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).
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2.2.2 Photodegradation
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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,
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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.
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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
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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]
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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.
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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.
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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.
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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.
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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.
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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.
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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
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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,
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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.
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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
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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
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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.
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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.
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).
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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.
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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.
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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)
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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.
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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.
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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
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;
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Carbon Acute Toxicity Repeated Dose Mutagenicity In Vitro Mutagenicity Repro/Dev
Number In Vivo
UNEP PUBLICATIONS 51
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Carbon Acute Toxicity Repeated Dose Mutagenicity In Vitro Mutagenicity Repro/Dev
Number In Vivo
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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
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)
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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
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
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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
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
Lead Organisation:
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:
A. Type of Substance
C. Purity:
1.2 Impurities
1.3 Additives
None
1.4 Synonyms
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.
Not applicable
Source:
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.
Classification
Labelling
UNEP PUBLICATIONS 65
OECD SIDS HEXENE
1. GENERAL INFORMATION ID: 25264-93-1
DATE: 28.04.2005
D. Last Literature Search
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
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
Results
Melting point
value in °C: -120.86°C
B. TEST SUBSTANCE
Method
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
C. TEST SUBSTANCE
Identity: 2-Hexene
Method
Results
D. TEST SUBSTANCE
Identity: 3-Hexene
Method
Results
E. Test Substance
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
Results
Melting point
value in °C: -98°C
A. Test Substance
Method
Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
GLP: Not applicable
Year: Not applicable
Results
Boiling point
value in °C: 79.21°C
Pressure: 1013
Pressure unit: hPa
UNEP PUBLICATIONS 69
OECD SIDS HEXENE
2. PHYSICO-CHEMICAL DATA ID: 25264-93-1
DATE: 28.04.2005
B. Test Substance
Method
Method: ASTM D68
GLP: No data
Year: No data
Results
Reliability: (4) Not assignable. These data were not reviewed for
quality.
C. TEST SUBSTANCE
Identity: 2-Hexene
Method
Results
D. TEST SUBSTANCE
Identity: 3-Hexene
Method
70 UNEP PUBLICATIONS
OECD SIDS HEXENE
2. PHYSICO-CHEMICAL DATA ID: 25264-93-1
DATE: 28.04.2005
GLP: No data
Year: No data
Results
E. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year: No data
Results
Boiling point
value in °C: 65°C
Pressure: 1013
Pressure unit: hPa
2.3 Density
A. Test Substance
Method
UNEP PUBLICATIONS 71
OECD SIDS HEXENE
2. PHYSICO-CHEMICAL DATA ID: 25264-93-1
DATE: 28.04.2005
GLP: No data
Results
Type: density
Value: ca. 700 kg/m3
Temperature (°C): 20°C
B. Test Substance
Identity: 2-hexene
Method
Method: No data
GLP: No data
Results
Type: density
Value: 0.6869 - 0.6772 g/cm3
Temperature (°C): 20°C
A. Test Substance
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)
B. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program EPIWIN
v. 3.10, MPBPWIN v 1.40
GLP: Not applicable
Year: Not applicable
Results
Vapor Pressure
value: 230.6 hPa
Temperature (°C ): 25°C
Remarks: Reported as 173 mm Hg
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.
A. TEST SUBSTANCE
Method
Method: No data
GLP: No data
Year: No data
Results
Reliability: (4) Not assignable. These data were not reviewed for
quality.
B. Test Substance
Method
Results
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.
C. Test Substance
Method
Method: No data
GLP: No data
Year: No data
Test Conditions: No data
Results
A. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program EPIWIN
v 3.10, WSKOW v 1.40
GLP: Not applicable
Year: Not applicable
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)
B. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year:
Results
Value (mg/L)
at temperature (°C): 50 mg/L (20°C)
No data available
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
Results
Reliability: (2) Reliable with restrictions. These data were not reviewed
for quality but were obtained from a reliable source .
No data available
2.9 Flammability
Test Substance
Method
Method: No data
GLP: No data
Reliability: (2) Reliable with restrictions. Data were not evaluated for
quality but were obtained from a reliable source .
No data available
No data available
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
Method
Method/
guideline followed: Other: Technical discussion
Type: water
GLP: Not applicable
Year: Not applicable
Results
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).
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]
B. Stability in Water
Test Substance
Method
Method/
guideline followed: Other – Technical Discussion
Type (test type):
GLP: Yes [ ] No[ ]
Year:
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.
C. Stability In Soil
No data available
No data available.
UNEP PUBLICATIONS 81
OECD SIDS HEXENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25264-93-1
DATE: 28.04.2005
A. Test Substance
Method
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
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
Method
3.3.2 Distribution
A. Test Substance
Method
Results
UNEP PUBLICATIONS 83
OECD SIDS HEXENE
3. ENVIRONMENTAL FATE AND PATHWAYS ID: 25264-93-1
DATE: 28.04.2005
B. Test Substance
Method
Results
A. Test Substance
Method
Year: 1995
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).
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.
% 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
B. Test Substance
Method
Year: no data
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.
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
Method
Method/guideline: Closed-bottle test 84/449/EEC
Year: 1985
.
% 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
D. Test Substance
Method
Type: Aerobic
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
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
A. Sewage Treatment
Test Substance
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
Test Medium: Waste Water Treatment with a rotary disk contact aerator
Test Substance
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
Method
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.
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.
B. Test Substance
Method
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
A. Test Substance
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)
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
B. Test Substance
Method
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.
A. Test Substance
Method
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.
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)
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.
B. TEST SUBSTANCE
Method
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)
A. Test Substance
Method
B. Test Substance
Method
Other: This study was included in the dossiers for 1-hexene and
1-tetradecene at SIAM 11. Additional information has
been added.
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
Results:
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)
Results:
Method/Guideline:
Results:
No data available
No data available
No data available
No data available
Method
Test Type In-vitro
GLP No
Year 1984
Method
Method
Vehicle:
Route of
administration: oral gavage
Results:
Method
Vehicle: None
Route of
administration: oral gavage
Results:
Method
Vehicle: None
Route of
administration: Inhalation
Results:
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
Method
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
Results:
Method
Vehicle: None
Route of
administration: Inhalation
Results:
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
Results:
Method
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:
No data available
5.3 Corrosiveness/Irritation
A. Skin Irritation/Corrosion
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
(2) Test Substance: CAS No. 592-41-6, 1-Hexene (Shop Olefin C6), >99%
1-hexene
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
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
B. Eye Irritation/Corrosion
Test Conditions
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”.
Test Conditions
Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Female
Number of animals
per dose: 3
A. Test Substance: CAS No. 592-41-6, 1-Hexene (1% w/w in ethanol, NEODENE
6 alpha olefin)
Test Conditions
Route of
administration: Topical occlusive
Induction conc.: 1%
Induction vehicle: ethanol
Challenge conc.: 1%
Challenge vehicle: ethanol
Grading system used: 0 = no reaction
1 = slight erythema
2 = moderate erythema
Test Conditions
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.
Method
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.
Results
B. Test Substance
Method
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
Results
C. Test Substance
Method
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
D. Test Substance
Method
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,
Results
A. Gene Mutation
Method
Concentrations tested: 3.2, 10, 32, 100 and 320 µg/plate (Doses
were based on a pre-test for toxicity)
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.
Results
Method
Results
Method
Results
Method
Results
B. Chromosomal Aberration
Method
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
Method
Results
Method
Results
Method
Results:
Method
Results
A. Test Substance
Method
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.
B. Test Substance
Method
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.
C. Test Substance
Method
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)
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.
5.8 Carcinogenicity
No data available
A. Fertility
Method
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.
Results
Method
Results
Reproductive toxicity
observed in parental
animals: none
Reproductive toxicity
observed in offspring: none
Method
Results
B. Developmental Toxicity
Method
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.
Results
Method
Results
A. Aspiration
Test Substance
Method
Method
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.
Results
Method
Results
Method
Results
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.
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. (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).
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.
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).
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 Oral Toxicity Study
in Rats. 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).
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.
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).
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.
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
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).
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 Development Company (1982) Acute Oral Toxicity of NEODENE 6 Alpha Olefin
in the Rat, WTP-120 (unpublished report).
Shell Development Company (1982) Acute Dermal Toxicity of NEODENE 6 Alpha Olefin
in the Rabbit, WTP-124 (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).
Stein, S. and R. Brown (1994) Estimation of normal boiling points from group
contributions (1994) J. Chem. Inf. Comput. Sci. 34: 581-587.
SIDS DOSSIER
ON THE HPV CHEMICAL
HEPTENE
Lead Organisation:
A. Type of Substance
C. Purity:
1.2 Impurities
No data
1.3 Additives
None
1.4 Synonyms
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.
Not applicable
Source:
Classification
Labelling
E. OTHER REMARKS
A. Test Substance
Method
Method/
guideline followed: Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.11
GLP: Not applicable
Year: Not applicable
Results
Melting point
value in °C: -82.42°C
B. TEST SUBSTANCE
Method
Results
C. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year: No data
Results
Melting point
value in °C: -119.7°C
A. Test Substance
Method
Method/
guideline followed: Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.11
GLP: Not applicable
Year: Not applicable
Results
Boiling point
value in °C: 94.35°C
Pressure: 1013
Pressure unit: hPa
B. Test Substance
Method
Method: ASTM D68
GLP: No data
Year: No data
Results
C. TEST SUBSTANCE
Method
2.3 Density
A. Test Substance
Method
Results
Type: density
Value: ca. 700 kg/m3
Temperature (°C): 20°C
A. Test Substance
Method
Method/
guideline followed: Not reported
GLP: Not applicable
Year:
Results
Vapor Pressure
Value: 79.05 hPa
Temperature: 25°C
Remarks: Reported as 59.3 mm Hg (25°C)
B. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program
EPIWIN, MPBPWIN v 1.41
GLP: Not applicable
Year: Not applicable
Results
Vapor Pressure
value: 74.66 hPa
Temperature (°C ): 25°C
Remarks: Reported as 56 mm Hg
A. TEST SUBSTANCE
Method
Method: No data
GLP: No data
Year: No data
Results
B. Test Substance
Method
Results
C. Test Substance
Method
Method: No data
GLP: No data
Year: No data
Results
A. Test Substance
Method/
guideline followed: Calculated value using the computer program
EPIWIN, WSKOW v 1.41
GLP: Not applicable
Year: Not applicable
Results
Value(mg/L) at
temperature ( °C): 13.45 mg/L (25°C)
B. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year:
Results
Value (mg/L)
at temperature (°C): 18.2 mg/L (25°C)
C. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program
EPIWIN, WATERNT v 1.01
GLP: Not applicable
Year: Not applicable
Results
Value(mg/L) at
temperature ( °C): 11.913 mg/L (25°C)
No data available
Test Substance
Method
Results
Reliability: (4) Not assignable. These data were not reviewed for quality.
No data available
2.9 Flammability
Test Substance
Method
Method: No data
GLP: No data
No data available
No data available
No data available
A. Photodegradation
Method
Method/
guideline followed: Other: Technical discussion
Type: water
GLP: Not applicable
Year: Not applicable
Results
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)
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
B. Stability in Water
Test Substance
Method
Method/
guideline followed: Other – Technical Discussion
C. Stability In Soil
No data available
No data available.
A. Test Substance
Method
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
B. Test Substance
Method
3.3.2 Distribution
A. Test Substance
Method
Results
B. Test Substance
Method
Results
C. Test Substance
Method
Results
1. TEST SUBSTANCE
Method
Year: 1995
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).
% 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
B. Test Substance
Method
Type: Aerobic
No data available
3.6 Bioaccumulation
Test Substance
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
Sewage Treatment
Test Substance
Test Substance
Method
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.
No data available
No data available
No data available
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
Results:
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)
Results:
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)
Results:
No data available
No data available
No data available
No data available
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 Non-standard
Test Type in-vitro and in-vivo
GLP No data available
Year Unknown
Method Non-standard
Test Type in-vitro
GLP No data
Year No data
Test Conditions:
Method
Test Substance
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:
Test Substance
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.
Results
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.
Test Substance
Method
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:
No data available
5.3 Corrosiveness/Irritation
A. Skin Irritation/Corrosion
Test Substance
Method
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
Number of deaths
at each dose level: No mortalities were observed at any dose tested.
Method
Vehicle: None
Route of
administration: Ocular
Method
Vehicle: None
Route of
administration: Ocular
No data available
No data available
A. Gene Mutation
No data available
No data available
Test Substance
Method
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.
5.8 Carcinogenicity
No data available
A. Fertility
No data available
B. Developmental Toxicity
No data available
Aspiration
Test Substance
Method
No data available
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.
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 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).
Gould, E.S. (1959) Mechanism and Structure in Organic Chemistry, Holt, Reinhart
and Winston, 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.
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.
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.
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.
SIDS DOSSIER
ON THE HPV CHEMICAL
OCTENE
Substance Information
Lead Organisation:
A. Type of Substance
C. Purity:
1.2 Impurities:
1.3 Additives
None
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.
Not applicable
Source:
Classification
Labelling
A. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year: No data
Results
Melting point
value in °C: -109°C
B. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program EPIWIN
version 3.10
GLP: Not applicable
Year: Not applicable
Results
Melting point
value in °C: -69.8°C
C. TEST SUBSTANCE
Method
Results
D. TEST SUBSTANCE
Identity: 2-Octene
Method
Results
Identity: 3-Octene
Method
Results
A. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year: No data
Results
Boiling point
value in °C: 123°C
Pressure: 1013
Pressure unit: hPa
B. Test Substance
Method
Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
GLP: Not applicable
Year: Not applicable
Results
Boiling point
value in °C: 118.13°C
Pressure: 1013
Pressure unit: hPa
C. Test Substance
Method
Method: ASTM D68
GLP: No data
Year: No data
Results
Reliability: (4) Not assignable. These data were not reviewed for
quality.
Identity: 2-Octene
Method
Results
2.3 Density
A. Test Substance
Method
Results
Type: density
Value: ca. 700 kg/m3
Temperature (°C): 20°C
B. Test Substance
Identity: 2-Octene
Method
Method: No data
GLP: No data
Results
Type: density
Value: 0.7199 - 0.7243 g/cm3
Temperature (°C): 20°C
A. Test Substance
Method
Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
GLP: Not applicable
Year:
Results
Vapor Pressure
Value: 22 hPa
Temperature: 25°C
Remarks: Reported as 16.5 mm Hg (25°C)
B. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year: No data
Results
Vapor Pressure
Value: 23.2 hPa
Temperature: 25°C
Remarks: Reported as 17.4 mm Hg (25°C)
A. TEST SUBSTANCE
Method
Method: No data
GLP: No data
Year: No data
Test Conditions: No data
Results
B. Test Substance
Method
Method: No data
GLP: No data
Year: No data
Results
Reliability: (4) Not assignable. These data were not reviewed for
quality.
C. TEST SUBSTANCE
Method
Results
A. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program EPIWIN
3.11, subroutine WSKOW v 1.41
GLP: Not applicable
Year: Not applicable
Results
Value(mg/L) at
temperature ( °C): 3.65 mg/L (25°C)
B. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year: No data
Results
Value (mg/L)
at temperature (°C): 4.1 mg/L (25°C)
No data available
Test Substance
Method
Results
Reliability: (4) Not assignable. These data were not reviewed for quality.
No data available
2.9 Flammability
Test Substance
Method
Method: No data
GLP: No data
Reliability: (2) Reliable with restrictions. Reliable source. Data were not
evaluated for quality.
No data available
No data available
No data available
A. Photodegradation
Method
Method/
guideline followed: Other: Technical discussion
Type: water
GLP: Not applicable
Year: Not applicable
Results
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)
B. Stability in Water
Test Substance
Method
Method/
guideline followed: Other – Technical Discussion
Type (test type):
GLP: Yes [ ] No[ ]
Year:
C. Stability In Soil
No data available
No data available.
A. Test Substance
Chemical assumptions:
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.
Method
3.3.2 Distribution
A. Test Substance
Method
Results
B. Test Substance
Method
Results
A. TEST SUBSTANCE
Method
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).
% 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
B. TEST SUBSTANCE
Method
C. Test Substance
Method
Type: Aerobic
No data available
3.6 Bioaccumulation
Test Substance
Method
Method: BCF calculated value using the computer program EPIWIN, BCF v
2.14
Results
A. Sewage Treatment
Test Substance
A. Test Substance
Method
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.
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.
B. Test Substance
Method
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
C. Test Substance
Method
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).
A. Test Substance
Method
B. Test Substance
Method
No data available.
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
Other: This study was included in the dossiers for 1-hexene and 1-
tetradecene at SIAM 11. Additional information has been added.
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
Results:
Method/Guideline:
Results:
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)
Results:
No data available
No data available
No data available
No data available
No data available
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
Other: This study was cited in the dossier for 1-octene at SIAM
11.
Method
Test Type: In vivo
GLP No data available
Year 1995
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)
Method Non-standard
Test Type in-vivo
GLP No data
Year No data
Test Conditions:
Species: Rat
Strain: Sprague-Dawley
Sex: Male
Age: No data
Route: Inhalation
Actual Dose(s): For the 3 days exposure period, the mean chamber
concentration was 99.3 ppm
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
Method Non-standard
Test Type in-vitro and in-vivo
GLP No data available
Year Unknown
Test Conditions:
Method Non-standard
Test Type in-vitro
GLP No data
Year No data
Test Conditions:
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:
Method
Vehicle: None
Route of
administration: oral gavage
Results:
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.
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.
Method
Vehicle: None
Route of
administration: Inhalation (vapor)
Results:
Number of deaths
at each dose level:Mortality per group at nominal concentrations:
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:
Method
Vehicle: None
Route of
administration: Dermal
Results:
No data available
5.3 Corrosiveness/Irritation
A. Skin Irritation/Corrosion
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
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
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
Results:
Number of deaths
at each dose level: No mortalities were observed at any dose
tested.
B. Eye Irritation/Corrosion
Test Conditions
Method
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
A. Test Substance: CAS No. 111-66-0, 1-Octene (1% w/v NEODENE 8 alpha
olefin in absolute ethanol)
Method: Buehler
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.
Grades:
Test Conditions
Route of
administration: Topical
Intradermal
Induction conc.: 50%
Intradermal
Induction vehicle: Paraffin oil
Topical
Induction conc.: 100%
Topical
Induction vehicle: none
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.
Test Substance
Method
Method/guideline: Not specified
Test type: Subchronic (90 day) Gavage
GLP: No
Year: 1986
Species: Rat
Strain: Unknown
Route of
Administration: Oral gavage
Control group
and treatment: Concurrent control
Post exposure
observation period: None
Results
A. Gene Mutation
Method
Concentrations tested: 10, 32, 100, 320 and 1000 µg/plate (Doses
were based on a pre-test for toxicity)
Results
Method
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
B. Chromosomal Aberration
Method
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).
Method
Results
Test Substance
Method
Results:
A. Test Substance
Method
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.
B. Test Substance
Method
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
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.
5.8 Carcinogenicity
No data available
A. Fertility
No data available
B. Developmental Toxicity
No data available
Aspiration
Test Substance
Method
Other: This study was included in the dossier for 1-octene at SIAM
11.
No data available
Adema, D.M.M., and Bakker, G.H. (1985) (unpublished report). [no further
information is available]
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).
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. (1996) Alkenes, C7-9, C8 Rich: Fish, Acute
Toxicity Test. Study #119158. 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).
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.
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.
Huntington Life Sciences Ltd, (1996) SHOP C68 Internal Olefins: Eye Irritation
in the Rabbit; Performed for Shell Chemical Co. (unpublished report).
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.
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.
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).
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 (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).
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) Acute Oral Toxicity
of NEODENE 8 Alpha Olefin in the Rat. (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).
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
SIDS DOSSIER
ON THE HPV CHEMICAL
NONENE
Lead Organisation:
A. Type of Substance
C. Purity:
No data available
1.2 Impurities
No data available
1.3 Additives
None
1.4 Synonyms
1.5 Quantity
Not applicable
Source:
Labelling
A. Test Substance
Method
Method/
guideline followed: Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.1
GLP: Not applicable
Year: Not applicable
Results
Melting point
value in °C: -56.70°C
B. Test Substance
Method
Results
C. Test Substance
Method
Results
A. Test Substance
Method
Method/
guideline followed: Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.11
GLP: Not applicable
Year: Not applicable
Results
Boiling point
value in °C: 149.53°C
Pressure: 1013
Pressure unit: hPa
B. Test Substance
Method
Method: No data
GLP: No data
Year: No data
Results
Reliability: (4) Not assignable. These data were not reviewed for
quality.
C. Test Substance
Method
Results
2.3 Density
A. Test Substance
Method
Method: No data
GLP: 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.
B. Test Substance
Method
Method: No data
GLP: No data
Results
A. Test Substance
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)
B. Test Substance
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.
C. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program
EPIWIN, MPBPWIN v 1.41
GLP: Not applicable
Year: Not applicable
Results
Vapor Pressure
value: 6.98 hPa
Temperature (°C ): 25°C
Remarks: Reported as 5.24 mm Hg
Test Substance
Method
Results
A. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program
EPIWIN, WSKOW v 1.41
GLP: Not applicable
Year: Not applicable
Results
Value(mg/L) at
temperature ( °C): 3.619 mg/L (25°C)
B. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program
EPIWIN, WATERNT v 1.01
GLP: Not applicable
Year: Not applicable
Results
Value(mg/L) at
temperature ( °C): 2.7615 mg/L (25°C)
No data available
A. Test Substance
Method
Method: No data
GLP:
Results
B. Test Substance
Method
Results
Reliability: (4) Not assignable. These data were not reviewed for
quality.
Test Substance
Method
Results
Reliability (4) Not assignable. These data were not reviewed for quality.
Test Substance
Method
Method: No data
GLP: No data
No data available
No data available
No data available
A. Photodegradation
Method
Method/
guideline followed: Other: Technical discussion
Type: water
GLP: Not applicable
Year: Not applicable
Results
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)
B. Stability in Water
Test Substance
Method
Method/
guideline followed: Other – Technical Discussion
C. Stability In Soil
No data available
No data available.
A. Test Substance
Method
Chemical assumptions:
B. Test Substance
Method
3.3.2 Distribution
A. Test Substance
Method
Results
B. Test Substance
Method
Results
A. TEST SUBSTANCE
Method
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).
% 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
B. TEST SUBSTANCE
Method
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).
% 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
C. Test Substance
Method
Type: Aerobic
No data available
3.6 Bioaccumulation
Test Substance
Method
Method: BCF calculated value using the computer program EPIWIN, BCF v
2.15
Results
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.
A. Sewage Treatment
Test Substance
A. Test Substance
Method
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.
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.
B. Test Substance
Method
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
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.
Method
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).
Test Substance
Method
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)
Reliability: (2) Reliable with restrictions. Study does not totally comply
with current testing guidelines. No chemical analyses were
performed.
No data available.
No data available
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
Results:
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)
Results:
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)
Results:
No data available
No data available
No data available
No data available
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
Test Conditions:
Species: Rat
Strain: Sprague-Dawley
Sex: Male
Age: No data
Route: Inhalation
Actual Dose(s): For the 3 days exposure period, the mean chamber
concentration was 99.3 ppm
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.
Method Non-standard
Test Type in-vitro and in-vivo
GLP No data available
Year Unknown
Test Conditions:
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
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:
Test Substance
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.
Test Substance
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
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:
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.
No data available
5.3 Corrosiveness/Irritation
Test Substance
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
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.
B. Eye Irritation/Corrosion
Test Substance
Method
Vehicle: None
Route of
administration: Ocular
No data available
No data available
A. Gene Mutation
Test Substance
Method
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.
Results
B. Chromosomal Aberration
No data available
Test Substance
Method
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.
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.
5.8 Carcinogenicity
No data available
A. Fertility
No data available
No data available
Aspiration
Test Substance
Method
Other: This study was included in the dossier for 1-decene at SIAM
11.
No data available
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. (1996) Fish, Acute Toxicity Test. Study
#119258. Exxon Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished
report).
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. (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).
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.
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., 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
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).
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.
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
SIDS DOSSIER
ON THE HPV CHEMICAL
DECENE
Lead Organisation:
A. Type of Substance
C. Purity: >94%
1.2 Impurities
1.3 Additives
None
1.4 Synonyms
1.5 Quantity
Classification
Labelling
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)
A. Test Substance
Method No data
GLP: No data
Year: No data
Results:
Melting point
Value: -66.3 °C
Decomposition: No data
Sublimation: No data
B. Test Substance
Results:
Melting point
Value: -66 °C:
Reliability: (4) Not assignable. These data were not reviewed for
quality.
C. Test Substance
Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of the computer program EPIWIN version
3.10
GLP: Not applicable
Results
Melting point
value in °C: -45.48°C
A. Test Substance
Method: No data
GLP: No data
Year: No data
Results
Decomposition: No data
B. Test Substance
Method
Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
GLP: Not applicable
Year: Not applicable
Boiling point
value in °C: 162.99°C
Pressure: 1013
Pressure unit: hPa
A. Test Substance
Method
Results
Type:
Value: 740 kg/m3
Temperature: (20°C)
B. Test Substance
Method
Method: No data
GLP: No data
Results
Type:
Value: 0.74 g/cm3
Temperature: (20°C)
A. Test Substance
Method
Method: No data
GLP: Yes [X ] No[ ]
Results
B. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year: No data
Results
Vapor Pressure
Value: 2.23 hPa
Temperature: 25°C
Remarks: Reported as 1.67 mm Hg (25°C)
C. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program EPIWIN
v. 3.10, MPBPWIN v 1.40
GLP: Not applicable
Year: Not applicable
Results
Vapor Pressure
value: 2.79 hPa
Temperature (°C ): 25°C
Remarks: Reported as 2.09 mm Hg
A. Test Substance
Method
GLP: No data
Year: 1979
Results
B. Test Substance
Method
C. Test Substance
Method
GLP: No data
Year: No data
Results
A. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program
EPIWIN, WSKOW v 1.41
GLP: Not applicable
Year: Not applicable
Results
Value(mg/L) at
temperature ( °C): 0.3288. mg/L (25°C)
B. Test Substance
Method
Method/
guideline followed: Not reported
GLP: No data
Year:
Results
Value (mg/L)
at temperature (°C): 0.57 mg/L (25°C)
Method
Method/
guideline followed: Not reported
GLP: No
Results
Value (mg/L)
at temperature (°C): 0.210 mg/L (25°C)
No data available
Test Substance
Method
Results
Value: 45°C
Reliability: (4) Not assignable. These data were not reviewed for quality.
Reference:
No data available
2.9 Flammability
No data available
No data available
No data available
No data available
A. Photodegradation
Method
Method/
guideline followed: Other: Technical discussion
Type: water
GLP: Not applicable
Year: Not applicable
Results
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)
B. Stability in Water
Test Substance
Method
Method/
guideline followed: Other – Technical Discussion
Type (test type):
GLP: Yes [ ] No[ ]
Year:
C. Stability In Soil
A. Test Substance
Method
Chemical assumptions:
B. Test Substance
Method
C. Test Substance
Identity: 5-decene
Method
Results
Value:
Air: 99.8%
Water: 0.1%
Soil/sediment: 0.1%
D. Test Substance
Identity: 5-decene
Method
Type: adsorption
Remarks: Based on a calculated KOC (6666 l/kg) for 5-decene
Results
E. Test Substance
Identity: 5-decene
Method
Type: volatility
Media: water - air
3.3.2 Distribution
A. Test Substance
Method
Results
B. Test Substance
Identity: 5-decene
Type: adsorption
Conditions: Brigg’s Correlation : log Koc = 0.52 log Kow + 0.88
assuming log Kow = 7
Media: water-soil
Results
C. Test Substance
Method
Results
D. Test Substance
Method
Results
B. TEST SUBSTANCE
Method
C. TEST SUBSTANCE
Method
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).
D. TEST SUBSTANCE
Method
Results:
Degradation = 80.9% after 28 days
E. Test Substance
Method
Type: Aerobic
No data available
3.6 Bioaccumulation
Test Substance
Method
Method: BCF calculated value using the computer program EPIWIN, BCF v
2.15
Results
Sewage Treatment
Test Substance
A. Test Substance
Method
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.
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.
B. Test Substance
Results:
C. Test Substance
Results:
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 >
A. Test Substance
Results:
B. Test Substance
Results:
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,
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.
A. Test Substance
Results:
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.
Results:
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).
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.
A. Test Substance
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
Other: This study was included in the dossier for 1-decene at SIAM
11.
B. Test Substance
Method
Other: This study was included in the dossiers for 1-hexene and
1-tetradecene at SIAM 11. Additional information has
been added.
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
Results:
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
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)
Results:
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)
Results:
No data available
No data available
No data available
No data available
No data available
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
Test Conditions:
Species: Rat
Strain: Sprague-Dawley
Sex: Male
Age: No data
Route: Inhalation
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.
(1) Test Substance: C10-13 Internal Olefins (Shop Olefins 103 PQ11),
linear
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
Results:
Method
Results:
Method
Vehicle: None
Route of
administration: Inhalation (mist )
Results:
Method
Vehicle: None
Route of
administration: Inhalation
Results:
(1) Test Substance: C10-13 Internal Olefins (Shop Olefins 103 PQ 11),
linear
Method
Vehicle: NA
Route of
administration: Dermal
Results:
Method
Vehicle: NA
Route of
administration: Dermal
Results:
% 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
No data available
5.3 Corrosiveness/Irritation
A. Skin Irritation/Corrosion
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
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
B. Eye Irritation/Corrosion
Method:
Test Conditions
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
Results: Non-irritating.
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%)
Test Conditions
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.
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
Other: This study was included in the dossiers for 1-decene and 1-
dodecene at SIAM 11. Additional information has been added.
No data available
A. Gene Mutation
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
Results
Method
Results
B. Chromosomal Aberration
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:
Results
No data available
5.8 Carcinogenicity
No data available
A. Fertility
No data available
B. Developmental Toxicity
No data available
Aspiration
Test Substance
Method
Other: This study was included in the dossier for 1-decene at SIAM
11.
No data available
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. 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.
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).
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).
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.
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.
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.
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
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.
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 (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 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).
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.
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.
SIDS DOSSIER
ON THE HPV CHEMICAL
ALKENES, C10-13
Substance Information
C. Name (IUPAC):
Lead Organisation:
A. Type of Substance
C. Purity:
1.2 Impurities
1.3 Additives
None
1.4 Synonyms
1.5 Quantity
Classification
Labelling
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)
A. Test Substance
Results:
Melting point
Value: -50 °C:
B. Test Substance
Results:
Melting point
Value: -66 to -13°C:
C. Test Substance
Method No data
GLP: No data
Year: No data
Results:
Melting point
Decomposition: No data
Sublimation: No data
D. Test Substance
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
Results
Melting point
value in °C: -45.48°C
Method No data
GLP: No data
Year: No data
Results: -77 °C
Decomposition: No data
Sublimation: No data
F. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year: No data
Results
Melting point
value in °C: -35.2°C
G. Test Substance
Method/
guideline followed: Calculated value using MPBPWIN version 1.41, a
subroutine of the computer program EPIWIN version
3.11
GLP: Not applicable
Results
Melting point
value in °C: -10.9°C
H. Test Substance
Method No data
GLP: No data
Year: No data
Results:
Melting point
value: -13 °C
Decomposition: No data
Sublimation: No data
A. Test Substance
Results:
B. Test Substance
Results:
C. Test Substance
Method: No data
GLP: No data
Year: No data
Decomposition: No data
D. Test Substance
Method: No data
GLP: No data
Year: No data
Results
E. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year: No data
Boiling point
value in °C: 213.8°C
Pressure: 1013
Pressure unit: hPa
F. Test Substance
Method
Method/
guideline followed: Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.11
GLP: Not applicable
Year: Not applicable
Boiling point
value in °C: 224°C
Pressure: 1013
Pressure unit: hPa
G. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year: No data
Results
Boiling point
value in °C: 233°C
Pressure: 1013
Pressure unit: hPa
A. Test Substance
Method
Results
Reliability: (4) Not assignable. These data were not reviewed for
quality.
B. Test Substance
Method
Results
A. Test Substance
Method
B. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year: No data
Results
Vapor Pressure
Value: 2.23 hPa
Temperature: 25°C
Remarks: Reported as 1.67 mm Hg (25°C)
C. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program EPIWIN
v. 3.10, MPBPWIN v 1.40
GLP: Not applicable
Year: Not applicable
Results
Vapor Pressure
value: 2.79 hPa
Temperature (°C ): 25°C
Remarks: Reported as 2.09 mm Hg
D. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program EPIWIN
v. 3.11, MPBPWIN v 1.41
GLP: Not applicable
Year: Not applicable
Results
Vapor Pressure
value: 0.9172 hPa
Temperature (°C ): 25°C
Remarks: Reported as 0.688 mm Hg
E. Test Substance
Method
Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
Results
Vapor Pressure
Value: 0.356 hPa
Temperature: 25°C
Remarks: Reported as 0.267 mm Hg (25°C)
F. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year: No data
Results
Vapor Pressure
Value: 0.212 hPa
Temperature: 25°C
Remarks: Reported as 0.159 mm Hg (25°C)
G. Test Substance
Method
Method/
guideline followed: Calculated value using MPBPWIN version 1.41, a
subroutine of EPIWIN version 3.11
GLP: Not applicable
Year:
Results
Vapor Pressure
Value: 0.13999 hPa
Temperature: 25°C
Remarks: Reported as 0.105 mm Hg (25°C)
H. Test Substance
Method
Method/
guideline followed: No data
Results
Vapor Pressure
Value: 0.0851 hPa
Temperature: 25°C
Remarks: Reported as 0.0638 mm Hg (25°C)
A. Test Substance
Method
B. Test Substance
Method
C. Test Substance
Method
Results
D. Test Substance
Method
E. Test Substance
Method
Results
A. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program
EPIWIN, WSKOW v 1.41
GLP: Not applicable
Year: Not applicable
Results
Value(mg/L) at
temperature ( °C): 0.3288. mg/L (25°C)
B. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program EPIWIN
3.11, subroutine WSKOW v 1.41
GLP: Not applicable
Year: Not applicable
Results
Value(mg/L) at
temperature ( °C): 0.4006 mg/L (25°C)
C. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program EPIWIN
3.11, subroutine WSKOW v 1.41
GLP: Not applicable
Year: Not applicable
Results
Value(mg/L) at
temperature ( °C): 0.1245 mg/L (25°C)
D. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program EPIWIN
3.11, subroutine WSKOW v 1.41
GLP: Not applicable
Year: Not applicable
Results
Value(mg/L) at
temperature ( °C): 0.03674 mg/L (25°C)
No data available
A. Test Substance
Method
Results
Value: 46°C
Type of test: Closed cup [ X]; Open cup [ ]; Other [ ]
No data available
2.9 Flammability
No data available
No data available
No data available
No data available
A. Photodegradation
Method
Method/
guideline followed: Other: Technical discussion
Type: water
GLP: Not applicable
Year: Not applicable
Results
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)
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)
B. Stability in Water
Test Substance
Method
Method/
guideline followed: Other – Technical Discussion
Type (test type):
GLP: Yes [ ] No[ ]
Year:
C. Stability In Soil
A. Test Substance
Method
Chemical assumptions:
B. Test Substance
Method
Chemical assumptions:
C. Test Substance
Method
D. Test Substance
Method
3.3.2 Distribution
A. Test Substance
Method
Results
B. Test Substance
Method
Results
C. Test Substance
Type: adsorption
Media: water-soil
Conditions: Brigg’s Correlation : log Koc = 0.52 log Kow + 0.88
assuming log Kow = 7
Results
Type: volatility
Media: water – air
Method: Calculated
Results
E. Test Substance
Method
Results
F. Test Substance
Method
Results
A. Test Substance: C10-13 Internal Olefins (Shop Olefins 103 PQ11), linear
B. Test Substance
Method
C. Test Substance
Method
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).
% 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
No data available
3.6 Bioaccumulation
A. Test Substance
Method
Results
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
Method
Results
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.
A. Sewage Treatment
Test Substance
B. Sewage Treatment
Test Substance
A. Test Substance
Method
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.
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.
B. Test Substance
Results:
C. Test Substance
Results:
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
A. Test Substance
Results:
B. Test Substance
Results:
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.
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.
A. Test Substance
Results:
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.
B. Test Substance
Results:
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).
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.
Test Substance
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
Other: This study was included in the dossier for 1-decene at SIAM
11.
Method/Guideline:
Species: Fish
Results:
Method/Guideline:
Species: Fish
Results:
Method/Guideline:
Species: Fish
Results:
Method/Guideline:
Species: Fish
Results:
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
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)
Results:
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)
Results:
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)
Results:
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)
Results:
Method/Guideline:
Results:
Method/Guideline:
Results:
Method/Guideline:
Results:
Method/Guideline:
Results:
No data available
No data available
No data available
No data available
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
Test Conditions:
Species: Rat
Strain: Sprague-Dawley
Sex: Male
Age: No data
Route: Inhalation
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.
(1) Test Substance: C10-13 Internal Olefins (Shop Olefins 103 PQ11),
linear
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
Results:
Method
Results:
Method
Vehicle: None
Route of
administration: Inhalation (mist )
Results:
(1) Test Substance: C10-13 Internal Olefins (Shop Olefins 103 PQ 11),
linear
Method
Vehicle: NA
Route of
administration: Dermal
Results:
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
Results:
No data available
5.3 Corrosiveness/Irritation
A. Skin Irritation/Corrosion
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
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.
B. Eye Irritation/Corrosion
Method:
Test Type: in vivo
GLP: No
Year: 1977
Test Conditions
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%)
Test Conditions
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.
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.
No data available
A. Gene Mutation
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.
Results
B. Chromosomal Aberration
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
Results
No data available
5.8 Carcinogenicity
No data available
A. Fertility
No data available
No data available
Aspiration
Test Substance
Method
Other: This study was included in the dossier for 1-decene at SIAM
11. Additional information has been added.
No data available
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).
Exxon Biomedical Sciences, Inc. (1996) Fish, Acute Toxicity Test. Study
#119258. Exxon Biomedical Sciences, Inc., East Millstone, NJ, USA (unpublished
report).
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).
Miller RC, Watkinson RJ. (1984). Olefins 103 PQ 11: An Assessment of Ready
Biodegradability. Shell Research Limited, Sittingbourne Research Center
(unpublished report).
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).
Turner, S.J., Watkinson, R.J., (1985) Shop Olefins 103: An assessment of Ready
Biodegradability, Sittingbourne, Shell Research Limited, SBGR.85.106
(unpublished report).
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).
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.
SIDS DOSSIER
ON THE HPV CHEMICAL
DODECENE
Lead Organisation:
A. Type of Substance
C. Purity:
1.2 Impurities:
1.3 Additives
None
1.4 Synonyms
1.5 Quantity
Not applicable
Source:
Classification
Labelling
E. Other Remarks
A. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year: No data
Results
Melting point
value in °C: -35.2°C
B. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program EPIWIN
version 3.10
GLP: Not applicable
Year: Not applicable
Results
Melting point
value in °C: -22.16°C
A. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year: No data
Results
Boiling point
value in °C: 213.8°C
Pressure: 1013
Pressure unit: hPa
B. Test Substance
Method
Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
GLP: Not applicable
Year: Not applicable
Results
Boiling point
value in °C: 204.24°C
Pressure: 1013
Pressure unit: hPa
Test Substance
Method
Method: No data
GLP: No data
Results
A. Test Substance
Method
Method/
guideline followed: Calculated value using MPBPWIN version 1.40, a
subroutine of EPIWIN version 3.10
GLP: Not applicable
Results
Vapor Pressure
Value: 0.356 hPa
Temperature: 25°C
Remarks: Reported as 0.267 mm Hg (25°C)
B. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year: No data
Results
Vapor Pressure
Value: 0.212 hPa
Temperature: 25°C
Remarks: Reported as 0.159 mm Hg (25°C)
Test Substance
Method
Results
A. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program EPIWIN
3.11, subroutine WSKOW v 1.41
GLP: Not applicable
Year: Not applicable
Results
Value(mg/L) at
temperature ( °C): 0.1245 mg/L (25°C)
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
Results
Value(mg/L) at
temperature ( °C): 0.1315 mg/L (25°C)
C. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program EPIWIN
3.10, subroutine WSKOW v 1.40
GLP: Not applicable
Year: Not applicable
Results
Value(mg/L) at
temperature ( °C): 0.1127 mg/L (25°C)
No data available
Test Substance
Method
Results
Value (°C): 77 °C
Reference: Lappin, G.R. and J.D. Sauer (1989) Alpha Olefins Application
Handbook, Marcel Dekker, Inc., N.Y.
No data available
2.9 Flammability
No data available
No data available
No data available
No data available
A. Photodegradation
Method
Method/
guideline followed: Other: Technical discussion
Type: water
GLP: Not applicable
Year: Not applicable
Results
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)
B. Stability in Water
Test Substance
Method
Method/
guideline followed: Other – Technical Discussion
Type (test type):
GLP: Yes [ ] No[ ]
Year:
C. Stability In Soil
No data available
No data available.
A. Test Substance
Chemical assumptions:
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.
Method
3.3.2 Distribution
A. Test Substance
Method
Results
B. Test Substance
Method
Results
A. Test Substance
Method
Year: 1993
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).
* replicate data
B. Test Substance
Method
Year: 1995
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
% 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
C. Test Substance
Method
D. Test Substance
Method
Type: Aerobic
No data available
3.6. Bioaccumulation
Test Substance
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
Sewage Treatment
Test Substance
Test Substance
Method
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.
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.
Results: 96-hour LL0 = 86.0 mg/L based upon loading rates; LC50 >
solubility.
No data available
Test Substance
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.
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.
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
Reliability: (3) Not reliable. Because this study cites an effect that was
seen above the water solubility limit, the results are
questionable.
No data available
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
Results:
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)
Results:
Method/Guideline:
Results:
No data available
No data available
No data available
No data available
No data available
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
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.
Results:
Method
Vehicle: None
Route of
administration: Oral gavage
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
Results:
Method
Method/guideline: NA
Type (test type): LC50
GLP: Pre-GLP
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.
Results:
Number of deaths
at each dose level: None
Method
Vehicle: None
Route of
administration: Inhalation (mist )
Results:
Method
Vehicle: None
Route of
administration: Inhalation
Results:
Method
Method/guideline: NA
Type (test type): LD50
GLP: Pre-GLP
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:
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
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.
Method
Vehicle: NA
Route of
administration: Dermal
Results:
% 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
Method
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:
No data available
5.3 Corrosiveness/Irritation
A. Skin Irritation/Corrosion
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
Results:
Number of deaths
at each dose level: No mortalities were observed at any dose
tested.
(2) Test Substance: CAS No. 112-41-4, 1-Dodecene (95%, GULFTENE 12)
Test Conditions
Species: Rabbits
B. Eye Irritation/Corrosion
Method
Vehicle: None
Route of
administration: Ocular
(2) Test Substance: CAS No. 112-41-4, 1-Dodecene (C12 alpha olefin)
Method: No data
Test Type: in vivo
GLP: No
Year: No data
Test Conditions
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%)
Test Conditions
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
Test Conditions
Species: Albino guinea pig
Strain:
Sex: Males
Number of animals
per sex per dose: 10
Route of
administration: Topical
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
Test Substance
Method
Method/guideline:
Test type: Subacute toxicity
GLP: Yes
Year: 1983
Species: Rat
Strain: Fischer 344
Route of
Administration: Dermal
Control group
and treatment: Concurrent vehicle control (5 M, 5 F, corn oil)
Post exposure
observation period: None
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
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.
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):
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):
A. Gene Mutation
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
Results
Method
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
Results
B. Chromosomal Aberration
Test Substance
Method
Results
Method
Results
Method
Results:
Remarks: Blend of CAS No. 821-95-4 (C11) and CAS No. 112-41-
4 (C12)
Method/guideline:
Type: in-vitro mitotic gene conversion assay
System of testing: non-bacterial
GLP: Yes
Year: 1981
Species/Strain: Saccharomyces cerevisiae JD1
Results
Test Substance
Method
Effect on
PCE/NCE ratio: Results not reported
Genotoxic effects: Negative.
5.8 Carcinogenicity
No data available
A. Fertility
No data available
B. Developmental Toxicity
No data available
Aspiration
Test Substance
No data available
Blair, D., Sedgewick, A.E. (1980) The acute inhalation toxicity of Olefins 103
PQ 11. Sittingbourne, Shell Research Limited, TLGR.80.052 (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.
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).
report).
Gould, E.S. (1959), Mechanism and Structure in Organic Chemistry, Holt, Reinhart
and Winston, New York, NY, USA.
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).
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.
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., 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
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).
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.
Turner, S.J., Watkinson, R.J., Shop (1985) Olefins 103: An assessment of Ready
Biodegradability, Sittingbourne, Shell Research Limited, SBGR.85.106
(unpublished report).
SIDS DOSSIER
ON THE HPV CHEMICAL
1-HEXADECENE
Lead Organisation:
A. Type of Substance
1.2 Impurities
1.3 Additives
None
1.4 Synonyms
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.
Not applicable
Source:
Classification
Labelling
A. Test Substance
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
Results
Melting point
value in °C: -21.29°C
B. Test Substance
Method
Method/
guideline followed: Not reported
GLP: Not reported
Year:
Results
Melting point
value in °C: 4.1°C
A. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program EPIWIN
MPBPWIN v 1.41
GLP: Not applicable
Year: Not applicable
Results
Boiling point
value in °C: 275.88°C
Pressure: 1013
Pressure unit: hPa
B. Test Substance
Method
Method/
guideline followed: Not reported
GLP: Not reported
Year: Not reported
Results
Boiling point
value in °C: 284.9°C
Pressure: 1013
Pressure unit: hPa
C. Test Substance
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
A. Test Substance
Method
Results
Value: 0.7853
B. Test Substance
Method
Method: No data
GLP: No
Results
Value: 0.7811
Temperature (°C): 20 °C
A. Test Substance
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)
B. Test Substance
Method
Method/
guideline followed: Not reported
GLP: No data
Year:
Results
Vapor Pressure
value: <0.069 hPa
Temperature (°C ): 37.8°C
C. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program
EPIWIN, MPBPWIN v 1.41
GLP: Not applicable
Year: Not applicable
Results
Test Substance
Method
Results
Method
Method/
guideline followed: Calculated value using the computer program
EPIWIN, WSKOW v 1.41
GLP: Not applicable
Year: Not applicable
Results
Value(mg/L) at
temperature ( °C): 0.00144 mg/L (25°C)
B. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program
EPIWIN, WATERNT v 1.01
GLP: Not applicable
Year: Not applicable
Results
Value(mg/L) at
temperature ( °C): 0.00039982 mg/L (25°C)
No data available
A. Test Substance
Method
Method: No data
GLP: No data
Results
B. Test Substance
Method
Results
A. Test Substance
Method
Method: No data
GLP: No
Results
B. Test Substance
Method
Method: No data
GLP: No
Results
2.9 Flammability
Not applicable
A. Photodegradation
Method
Method/
guideline followed: Other: Technical discussion
Type: water
GLP: Not applicable
Year: Not applicable
Results
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)
B. Stability in Water
Test Substance
Method
Method/
guideline followed: Other – Technical Discussion
Type (test type):
GLP: Yes [ ] No[ ]
Year:
C. Stability In Soil
No data available
No data available.
A. Test Substance
Chemical assumptions:
B. Test Substance
Method
3.3.2 Distribution
A. Test Substance
Method
Results
B. Test Substance
Method
Results
A. Test Substance
Method
Year: no data
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
B. Test Substance
Method
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.
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%.
C. Test Substance
Type: Aerobic
D. Test Substance
Method
GLP: Yes
Year: 1985
Kinetic:
5 day = 47-51%
15 day = 80-87%
28 day = 62-65%
E. Test Substance
Method
GLP: Yes
Year: 1985
No data available
3.6 Bioaccumulation
Test Substance
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
A. Sewage Treatment
Test Substance
A. Test Substance
Method
Results: The 96-hour LC50 was > solubility; LL0 = 1000 mg/L
loading rate WAF.
B. Test Substance
Method
C. Test Substance
Method
Test Substance
Method
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.
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).
A. Test Substance
Method
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.
B. Test Substance
Method
A. Test Substance
Method
B. Test Substance
Method
C. Test Substance
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.
No data available
No data available
No data available
No data available
No data available
No data available
Method Non-standard
Test Type in-vitro
GLP No data available
Year Unknown
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.
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.
Method
Vehicle: None
Route of
administration: Oral gavage
Results:
Method
Vehicle: None
Route of
administration: Oral gavage
Results:
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
Results:
Method
Vehicle: None
Route of
administration: Inhalation
Results:
Method
Vehicle: None
Route of
administration: Inhalation (aerosol)
Number of deaths
at each dose level: See Remarks
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
Method
Vehicle: None
Route of
administration: Inhalation
Results:
Method
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:
Method
Vehicle: None
Route of
administration: Dermal
Results:
No data available
5.3 Corrosiveness/Irritation
A. Skin Irritation/Corrosion
(1) Test Substance: CAS No. 629-73-2, 1-Hexadecene (~93%, GULFTENE 16)
Test Conditions
Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Male and female
Number of animals
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
Method
Method/guideline:
Test type: Repeated irritation
GLP: No
Year: 1963
Species: Guinea pig
Strain: No data
Route of
Administration: Dermal
Control group
and treatment: Untreated control group
Post exposure
observation period: 20 days following first treatment
Results: Irritating
C. Eye Irritation/Corrosion
Test Conditions
Test Conditions
Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Male and females
Number of animals
per dose: 1 male and 2 females
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
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: Buehler
Test Conditions
Route of
administration: Topical
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
Results Remarks: One female was found dead 3 days after first induction
application. Cause of death was not determined.
Test Conditions
Species: Albino guinea pig
Strain:
Sex: Males
Number of animals
per sex per dose: 10
Route of
administration: Topical
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,
A. Test Substance
Method
Control group
and treatment: Concurrent vehicle control (corn
oil)
Post exposure
observation period: None
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
B. Test Substance
Method
Control group
and treatment: Concurrent vehicle control (corn oil)
Post exposure
observation period: None
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
C. Test Substance
Method
Method/guideline:
Test type: Subacute toxicity
GLP: Yes
Year: 1983
Species: Rat
Strain: Fischer 344
Route of
Administration: Dermal
Control group
and treatment: Concurrent vehicle control (5 M, 5 F, corn oil)
Post exposure
observation period: None
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
A. Gene Mutation
Method
Results
Method
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).
Results
B. Chromosomal Aberration
No data available.
Method
Results
Results:
A. Test Substance
Method
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).
Effect on
PCE/NCE ratio: A decrease in PCE/NCE ratio was observed
Genotoxic effects: Negative
B. Test Substance
Method
Results
Effect on
PCE/NCE ratio: Results not reported
Genotoxic effects: Negative.
5.8 Carcinogenicity
A. Fertility
Method
Results
Reproductive toxicity
observed in parental
animals: none
Reproductive toxicity
observed in offspring: none
Method
Control group
and treatment: Concurrent vehicle control (corn oil)
Post exposure
observation period: None
Results
Test Substance
A. Aspiration
Test Substance
Method
B. Neurotoxicity
Method
Control group
and treatment: Concurrent vehicle control (corn oil)
Post exposure
observation period: None
Results
Method
Control group
and treatment: Concurrent vehicle control (corn oil)
Post exposure
observation period: None
Results
No data available
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).
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.
Gould, E.S. (1959) Mechanism and Structure in Organic Chemistry, Holt, Reinhart
and Winston, New York, NY, USA.
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).
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.
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.
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.
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
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).
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).
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).
SIDS DOSSIER
ON THE HPV CHEMICAL
1-OCTADECENE
Lead Organisation:
A. Type of Substance
1.2 Impurities
1.3 Additives
None
1.4 Synonyms
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.
Not applicable
Source:
Classification
Labelling
A. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program
EPIWIN, MPBPWIN
v 1.41
GLP: Not applicable
Year: Not applicable
Results
Melting point
value in °C: 17.70°C
B. Test Substance
Method
Method/
guideline followed: ASTM D 97
GLP: No data
Year: No data
Results
C. Test Substance
Method
Method/
guideline followed: No data
GLP: No data
Year: No data
Results
Melting point
value in °C: 17.5°C
A. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program EPIWIN
MPBPWIN v 1.41
GLP: Not applicable
Year: Not applicable
Results
Boiling point
value in °C: 306.27°C
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:
Test Substance
Method
Value: 0.793
A. Test Substance
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)
B. Test Substance
Method
Method/
Results
Vapor Pressure
value: 0.00223 hPa
Temperature (°C ): 25°C
Remarks: Reported as 0.00167 mm Hg
C. Test Substance
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
Results
Vapor Pressure
value: 0.00085 – 0.0013 hPa
Temperature (°C ): 25°C
A. Test Substance
Method
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
B. Test Substance
Method
Results
A. Test Substance
Method
Method/
guideline followed: Calculated value using the computer program
EPIWIN, WSKOW v 1.41
GLP: Not applicable
Year: Not applicable
Results
Value(mg/L) at
temperature ( °C): 0.0001508 mg/L (25°C)
B. Test Substance
Method
Method/
Results
Value(mg/L) at
temperature ( °C): 3.793E-005 mg/L (25°C)
No data
Test Substance
Method
Results
Test Substance
Method
Method: No data
GLP: No
Results
2.9 Flammability
Not applicable
A. Photodegradation
Method
Method/
guideline followed: Other: Technical discussion
Type: water
GLP: Not applicable
Year: Not applicable
Results
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)
B. Stability in Water
Test Substance
Method
Method/
guideline followed: Other – Technical Discussion
C. Stability In Soil
No data available
No data available.
A. Test Substance
Method
Chemical assumptions:
Results
Media: Air, soil, water and sediment concentrations were estimated
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
Method
3.3.2 Distribution
A. Test Substance
Method
Results
B. Test Substance
Method
Results
A. Test Substance
Method
GLP: Yes
Year: 1985
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.”
B. Test Substance
Method
GLP: Yes
Year: 1985
C. Test Substance
Method
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.
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%.
D. Test Substance
Method
GLP: Yes
Year: 1998
Results
Kinetic of
Test substance: 1 day = 4%
3 day = 15%
10 day = 53%
16 day = 83%
28 day = 92%
E. Test Substance
Method
Type: Aerobic
F. Test Substance
Method
GLP: Yes
Year: 2000
Results
Kinetic of
Test substance: 1 day = 2%
3 day = 23%
10 day = 35%
16 day = 38%
28 day = 51%
No data available
3.6 Bioaccumulation
Test Substance
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
A. Sewage Treatment
Test Substance
A. Test Substance
Method
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)
B. Test Substance
Method
C. Test Substance
Remarks: Composition: <47% C20, <35% C22, <26% C24, <3% C18, <1%
C16; 89.3% linear, 8.3% branched
Method
D. Test Substance
Method
Results:
LC50: > solubility at 96 hrs; the LL0 was 1000 mg/L loading
rate WAF at 96 hrs
A. Test Substance
Method
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)
B. Test Substance
Method
Results
Element value: 48 hr EC50 > solubility; EL0 = 1000 mg/L loading rate
WAF at 48 hrs
A. Test Substance
Method
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)
B. Test Substance
Remarks: Composition: <47% C20, <35% C22, <26% C24, <3% C18, <1%
C16; 89.3% linear, 8.3% branched
Method
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
Results:
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.
C. Test Substance
Method
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.
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
A. Test Substance
B. Test Substance
Method
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.
Results:
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.
No data available
No data available
No data available
No data available
No data available
No data available
No data available
No data available.
Method
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:
Remarks:
Method
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:
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
Method
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:
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
Method
Vehicle: None
Route of
administration: Oral gavage
Results:
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
Results:
Method
Results:
Method
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.
Results:
Test Substance
Method
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.
Results:
Method
Results:
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
Method
Results:
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
Method
Vehicle: None
Route of
administration: Dermal
Results:
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
Results:
Method
Vehicle: None
Route of
administration: Dermal
Results:
No data available
5.3 Corrosiveness/Irritation
A. Skin Irritation/Corrosion
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
Test Conditions
Species: Rabbits
Strain:
Cell type:
Sex: Male and female
Number of animals
per sex per dose: 3
Test Conditions
(4) Test Substance: CAS No. 26952-14-7 (Hexadecene, 49%) and 27070-58-
2
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
Test Conditions
Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Not reported
Number of animals
per dose: 6
(2) Test Substance: CAS No. 26952-14-7 (Hexadecene, 49%) and 27070-58-
2
Test Conditions
Species: Rabbits
Strain: New Zealand White
Cell type:
Sex: Male and females
Number of animals
per dose: 1 male and 2 females
Test Conditions
Results Remarks:
24 hr scores 48 hr scores
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
Grades: No data
Method: Buehler
Test Conditions
Route of
administration: Topical
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.
Results Remarks: One female was found dead 3 days after first induction
application. Cause of death was not determined.
A. Test Substance
Method
Control group
and treatment: Concurrent vehicle control (corn oil)
Post exposure
observation period: None
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.
B. Test Substance
Method
Control group
and treatment: Concurrent vehicle control (corn oil)
Post exposure
Results
C. Test Substance
Results
A. Gene Mutation
Results
Method
B. Chromosomal Aberration
Method
Results
Method
Results
Test Substance
Method
Results
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).
Test Substance
Method
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
5.8 Carcinogenicity
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.
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.
A. Fertility
Method
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
Results
Method
Control group
and treatment: Concurrent vehicle control (corn oil)
Post exposure
observation period: None
Results
Control group
and treatment: Concurrent vehicle control (corn oil)
Post exposure
observation period: 4 weeks
Results
B. Developmental Toxicity
Test Substance
Results
A. Aspiration
Test Substance
Method
B. Neurotoxicity
Method
Control group
and treatment: Concurrent vehicle control (corn oil)
Post exposure
observation period: None
Results
Method
Control group
and treatment: Concurrent vehicle control (corn oil)
Post exposure
observation period: 4 weeks
Results
No data available
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