(Q223101)

Gene Ontology release 2020-05-02

Rhea release 113

3-methylbutanol:NAD oxidoreductase activity

1 reference

Gene Ontology release 2020-05-02

Rhea release 113

chemical structure

3-methylbutan-1-ol 200.svg
154 × 67; 7 KB

0 references

Isoamyl alcohol.svg
212 × 95; 3 KB

0 references

mass

88.089 dalton

1 reference

3-Methyl-1-butanol (English)

19 October 2016

associated hazard

isoamyl alcohol exposure

0 references

has effect

isoamyl alcohol exposure

1 reference

http://www.cdc.gov/niosh/npg/npgd0348.html

chemical formula

C₅H₁₂O

1 reference

3-Methyl-1-butanol (English)

19 November 2016

canonical SMILES

CC(C)CCO

1 reference

3-Methyl-1-butanol (English)

19 November 2016

density

0.81±0.01 gram per cubic centimetre

57±1 degree Fahrenheit

1 reference

http://www.cdc.gov/niosh/npg/npgd0348.html

melting point

−179±1 degree Fahrenheit

1 reference

http://www.cdc.gov/niosh/npg/npgd0348.html

−117.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

−117.2 degree Celsius

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

270±1 degree Fahrenheit

under pressure

760±1 torr

1 reference

http://www.cdc.gov/niosh/npg/npgd0348.html

131.1 degree Celsius

under pressure

101.325 kilopascal

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

vapor pressure

28±1 millimetre of mercury

68±1 degree Fahrenheit

1 reference

http://www.cdc.gov/niosh/npg/npgd0348.html

solubility

2±1 gram per 100 gram of solvent

57±1 degree Fahrenheit

solvent

water

1 reference

http://www.cdc.gov/niosh/npg/npgd0348.html

flash point

109±1 degree Fahrenheit

determination method or standard

Pensky–Martens closed-cup test

1 reference

http://www.cdc.gov/niosh/npg/npgd0348.html

lower flammable limit

1.2±0.1 volume percent

1 reference

http://www.cdc.gov/niosh/npg/npgd0348.html

upper flammable limit

9±1 volume percent

212±1 degree Fahrenheit

1 reference

http://www.cdc.gov/niosh/npg/npgd0348.html

NIOSH Pocket Guide ID

0348

0 references

short-term exposure limit

450±1 milligram per cubic metre

applies to jurisdiction

no value

duration

15±1 minute

1 reference

http://www.cdc.gov/niosh/npg/npgd0348.html

time-weighted average exposure limit

360±1 milligram per cubic metre

applies to jurisdiction

United States of America

duration

10±1 hour

1 reference

http://www.cdc.gov/niosh/npg/npgd0348.html

immediately dangerous to life or health

1,805±1 milligram per cubic metre

1 reference

http://www.cdc.gov/niosh/npg/npgd0348.html

found in taxon

Pittosporum tobira

1 reference

Sesquiterpene glycosides and other terpene constituents from the flowers of Pittosporum tobira

maize

1 reference

Volatile components of corn silk (Zea mays L.): possible Heliothis zea (Boddie) attractants

Opuntia ficus-indica

1 reference

Volatile constituents of prickly pear (Opuntia ficus indica Mill., de Castilla variety)

Daphne odora

1 reference

Volatile components of zinchoge flower (Daphne odora Thunb.).

starfruit

1 reference

Volatile constituents of carambola (Averrhoa carambola L.)

Psidium guajava

1 reference

Volatile flavour components of guava

Prunus armeniaca

1 reference

Glycosidically bound aroma compounds in the fruits of Prunus species: apricot (P. armeniaca, L.), peach (P. persica, L.), yellow plum (P. domestica, L. ssp. syriaca)

Prunus persica

1 reference

Glycosidically bound aroma compounds in the fruits of Prunus species: apricot (P. armeniaca, L.), peach (P. persica, L.), yellow plum (P. domestica, L. ssp. syriaca)

Prunus domestica

1 reference

Glycosidically bound aroma compounds in the fruits of Prunus species: apricot (P. armeniaca, L.), peach (P. persica, L.), yellow plum (P. domestica, L. ssp. syriaca)

Rosa rugosa

1 reference

Pollen and flower volatiles in two Rosa species

Aloe arborescens

1 reference

Aroma chemicals isolated and identified from leaves of Aloe arborescens Mill. Var. Natalensis Berger

Ambrosiozyma monospora

1 reference

Production of Monoterpenes in Liquid Cultures by the YeastAmbrosiozyma monospora1

Asarum canadense

1 reference

Composition of the essential oil from Asarum canadense

Aster scaber

1 reference

Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb)

Candida tropicalis

1 reference

Interconversion of verbenols and verbenone by identified yeasts isolated from the spruce bark beetleIps typographus.

watermelon

1 reference

Volatile flavor components of watermelon (Citrullus vulgaris).

Daphne mezereum

1 reference

Floral fragrance chemistry in the early flowering shrub Daphne mezereum

Foeniculum vulgare

1 reference

Water-Soluble Constituents of Fennel. I. Alkyl Glycosides.

Gossypium hirsutum

1 reference

Survey of the volatile constituents of cotton lint and waste with regard to byssinosis

Lentinellus cochleatus

1 reference

Volatiles from Liquid Cultures of Lentinellus cochleatus (Basidiomycotina)

Mangifera indica

1 reference

Volatile components of two cultivars of mango from Florida

Mycoacia uda

1 reference

Characterization of the major aroma constituent of the fungus Trichoderma viride

Olea europaea

1 reference

Analysis of volatiles from callus cultures of olive Olea europaea

Chinese peony

1 reference

Volatile constituents of peony flowers

Etlingera elatior

1 reference

The Essential Oil of Young Flower Shoots of Phaeomeria speciosa Koord.

Phaseolus vulgaris

1 reference

Characterization of some volatile constituents of dry red beans

Salvia pomifera

2 references

Essential Oil of Salvia lereifolia Benth.

The Essential Oil of Salvia pomifera L.

Spondias mombin

1 reference

Volatiles of the Jobo Fruit (Spondias mombinL.)

cacao

1 reference

Steam volatile aroma constituents of roasted cocoa beans

Thymbra spicata

1 reference

Composition of Essential Oils from Two Varieties ofThymbra spicataL.

Tuber melanosporum

1 reference

Principal constituents of black truffle (Tuber melanosporum) aroma

Aloe africana

1 reference

Aloe exudate: characterization by reversed phase HPLC and headspace GC-MS.

Bistorta manshuriensis

1 reference

Determination of the volatile fraction of Polygonum bistorta L. at different growing stages and evaluation of its antimicrobial activity against two major honeybee (Apis mellifera) pathogens

Zanthoxylum schinifolium

1 reference

Aroma constituents and alkylamides of red and green huajiao (Zanthoxylum bungeanum and Zanthoxylum schinifolium).

Agaricus bisporus

1 reference

Volatile compounds from the mycelium of the mushroom Agaricus bisporus

Dactylanthus taylorii

1 reference

Volatile constituents of Dactylanthus taylorii flower nectar in relation to flower pollination and browsing by animals

Humulus lupulus

2 references

Identification of volatile, water-soluble compounds from hops (Humulus Lupulus L.)

Direct thermal desorption-gas chromatography and gas chromatography-mass spectrometry profiling of hop (Humulus lupulus L.) essential oils in support of varietal characterization

Medicago sativa

1 reference

Volatiles from Medicago sativa complex flowers

Vaccinium macrocarpon

1 reference

The Aroma of Cranberries. II. Vaccinium macrocarpon Ait.

Rosmarinus officinalis

1 reference

Antioxidant Properties of Rosemary Oleoresin in Turkey Sausage

Zingiber mioga

1 reference

Volatile Flavor Compounds of Myoga (Zingiber Mioga).

Vaccinium vitis-idaea

1 reference

The Aroma of Cranberries. I. Vaccinium vitis-idaea L..

Parkia speciosa

1 reference

Headspace constituents of Parkia speciosa seeds

Lucensosergia lucens

1 reference

Volatile Components ofSergia lucensand Its Fermented Product

Scleromitrion diffusum

1 reference

Composition of the Essential Oil of Hedyotis diffusa Willd.

Homo sapiens

2 references

A review of the volatiles from the healthy human body

Impact of a synbiotic food on the gut microbial ecology and metabolic profiles

Matsutake

1 reference

Volatile flavor compounds of Matsutake-Tricholomam atsutake (Ito et Imai) Sing.

Vitis vinifera

1 reference

Identification of Predominant Aroma Compounds in Muscadine Grape Juice

Streptomyces

1 reference

Comparative analysis of chemical constituents, antimicrobial and antioxidant activities of ethylacetate extracts of Polygonum cuspidatum and its endophytic actinomycete, Streptomyces sp. A0916

has characteristic

Class II combustible liquid

1 reference

http://www.cdc.gov/niosh/npg/npgd0348.html

Commons category

3-Methyl-1-butanol

0 references

P7049 (Deleted Property)

3499 Property P7049 not found, cannot determine the data type to use.

0 references

Identifiers

InChI

InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

1 reference

3-Methyl-1-butanol (English)

19 November 2016

2 references

3-Methyl-1-butanol (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

123-51-3

2 references

Global Substance Registration System

isoamyl alcohol (English)

19 November 2016

https://commonchemistry.cas.org/detail?cas_rn=123-51-3

9 April 2021

1 reference

3-Methylbutan-1-ol (English)

19 November 2016

2 references

3-Methyl-1-butanol (English)

19 November 2016

Reaxys registry number

1718835

1 reference

isoamylol (English)

19 October 2016

49460

0 references

ChEBI ID

15837

mapping relation type

3 references

3-METHYLBUTANOL (English)

19 November 2016

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C5H12O/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3

1 reference

MSBNK-Fac_Eng_Univ_Tokyo-JP000277

3-METHYLBUTANOL (English)

19 November 2016

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP001813

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006844

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP005672

0 references

SPLASH

splash10-052f-9000000000-8f690089412de62c1345

0 references

splash10-052f-9000000000-7c2ce9899425d009c30d

0 references

splash10-052f-9000000000-bf852ef18965656b4e96

0 references

splash10-052f-9000000000-370bf1c231476fa54243

0 references

NMRShiftDB structure ID

10008667

1 reference

Hazardous Substances Data Bank

0 references

0 references

EL5425000

0 references

0 references

1 reference

28 October 2019

ISOAMYL ALCOHOL (English)

10 May 2021

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

0 references

1 reference

Global Substance Registration System

isoamyl alcohol (English)

ECHA Substance Infocard ID

19 November 2016

100.004.213

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.004.213

27 December 2018

OSHA Occupational Chemical Database ID

3-methylbutan-1-ol (English)

quotation

CAS no.: 123-51-3 (English)

177

0 references

FL number

02.003

1 reference

quotation

CAS no.: 123-51-3 (English)

23 January 2021

02.003

1 reference

28 December 2019

ISOAMYL ALCOHOL (English)

quotation

CAS no.: 123-51-3 (English)

1 reference

0 references

2 references

1-Hydroxy-3-Methylbutane (English)

19 November 2016

DB02296

1 reference

Human Metabolome Database ID

HMDB0006007

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00050468

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

isoamyl alcohol (English)

19 November 2016

imported from Wikimedia project

0 references

1 reference

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

30 June 2018

0 references

1 reference

28 October 2013

0 references

0 references

52

1 reference

Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)