isobutyl alcohol (Q151797)

chemical compound

0 references

fatty alcohol

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type of chemical entity

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subclass of

fatty alcohol

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chemical structure

Isobutanol.svg
775 × 382; 315 bytes

1 reference

German Wikipedia

mass

74.073 dalton

1 reference

2-Methyl-1-propanol (English)

6 October 2016

1 reference

chemical formula

C₄H₁₀O

1 reference

2-Methyl-1-propanol (English)

19 November 2016

canonical SMILES

CC(C)CO

1 reference

2-Methyl-1-propanol (English)

19 November 2016

ionization energy

10.12±0.01 electronvolt

series ordinal

1 reference

electric dipole moment

1.64 debye

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standard enthalpy of formation

−334.7 kilojoule per mole

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molar fusion enthalpy

6.32 kilojoule per mole

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molar enthalpy of vaporization

41.8 kilojoule per mole

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density

0.8±0.01 gram per cubic centimetre

20±1 degree Celsius

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melting point

−162±1 degree Fahrenheit

1 reference

−108.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

boiling point

227±1 degree Fahrenheit

under pressure

760±1 torr

1 reference

kinematic viscosity

4 square millimetre per second

1 reference

surface tension

0.02294 newton per metre

1 reference

vapor pressure

9±1 millimetre of mercury

68±1 degree Fahrenheit

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solubility

10±1 gram per 100 gram of solvent

68±1 degree Fahrenheit

solvent

water

1 reference

refractive index

1.3958

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determination method or standard

flash point

82±1 degree Fahrenheit

Pensky–Martens closed-cup test

1 reference

autoignition temperature

415 degree Celsius

1 reference

lower flammable limit

1.7±0.1 volume percent

123±1 degree Fahrenheit

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upper flammable limit

10.6±0.1 volume percent

202±1 degree Fahrenheit

1 reference

safety classification and labelling

NFPA 704: Standard System for the Identification of the Hazards of Materials for Emergency Response

no value

1 reference

Regulation (EC) No. 1272/2008

English Wikipedia

GHS hazard pictogram

GHS02: flame

GHS05: corrosion

GHS07: exclamation mark

GHS precautionary statement

1 reference

10 June 2018

2-Methyl-1-propanol (English)

time-weighted average exposure limit

point in time

2015

NIOSH Pocket Guide ID

0352

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150±1 milligram per cubic metre

applies to jurisdiction

no value

duration

10±1 hour

1 reference

300±1 milligram per cubic metre

applies to jurisdiction

United States of America

duration

8±1 hour

1 reference

immediately dangerous to life or health

4,848±1 milligram per cubic metre

1 reference

found in taxon

Zingiber mioga

1 reference

Volatile Flavor Compounds of Myoga (Zingiber Mioga).

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)

Vitis rotundifolia

1 reference

Volatile constituents of the muscadine grape (Vitis rotundifolia)

starfruit

1 reference

Volatile constituents of carambola (Averrhoa carambola L.)

Vitis vinifera

1 reference

Core Microbiota and Metabolome of Vitis vinifera L. cv. Corvina Grapes and Musts.

Candida tropicalis

1 reference

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

Cichorium endivia

1 reference

Neutral volatiles from blended endive (Cichorium endivia, L.)

Ferula assa-foetida

1 reference

Volatile Compounds in Leek and Asafoetida

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

Populus koreana

1 reference

Analysis of Phenolics of Bud Exudates of Populus koreana, Populus maximowiczii and Populus suaveolens by GC-MS

Populus suaveolens

1 reference

Analysis of Phenolics of Bud Exudates of Populus koreana, Populus maximowiczii and Populus suaveolens by GC-MS

Populus maximowiczii

1 reference

Analysis of Phenolics of Bud Exudates of Populus koreana, Populus maximowiczii and Populus suaveolens by GC-MS

Sergia lucens

1 reference

Volatile Components ofSergia lucensand Its Fermented Product

Spondias mombin

1 reference

Free and glycosidically bound aroma compounds in hog plum (Spondias mombins L.)

Tuber melanosporum

1 reference

Principal constituents of black truffle (Tuber melanosporum) aroma

Zanthoxylum simulans

1 reference

Characteristics of the Steam-Distilled Oil and Carbon Dioxide Extract ofZanthoxylum simulansFruits†

Angelica gigas

1 reference

Volatile organic compounds of Angelica gigas Nakai, Korean medicinal herb

Zanthoxylum schinifolium

1 reference

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

Commons category

Isobutanol

1 reference

InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3

English Wikipedia

P7049 (Deleted Property)

1076 Property P7049 not found, cannot determine the data type to use.

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Identifiers

GND ID

4337576-5

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InChI

1 reference

2-Methyl-1-propanol (English)

ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

19 November 2016

InChIKey

2 references

2-Methyl-1-propanol (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

78-83-1

2 references

isobutyl alcohol (English)

ZXEKIIBDNHEJCQ-UHFFFAOYSA-N

19 November 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=78-83-1

1 reference

isobutanol (English)

6 October 2016

1 reference

2-Methyl-1-propanol (English)

19 November 2016

Reaxys registry number

1730878

1 reference

isobutanol (English)

6 October 2016

49282

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ChEBI ID

46645

mapping relation type

1 reference

ISOBUTANOL (English)

19 November 2016

1 reference

ISOBUTANOL (English)

MSBNK-Fac_Eng_Univ_Tokyo-JP000273

19 November 2016

MassBank accession ID

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MSBNK-Fac_Eng_Univ_Tokyo-JP001278

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MSBNK-Fac_Eng_Univ_Tokyo-JP007110

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SPLASH

splash10-0006-9000000000-8f50f8925987fafa9f6e

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splash10-0006-9000000000-a022508915e78517db51

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splash10-0006-9000000000-df76ec6cf6a8bfca3cf4

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0 references

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NP9625000

1 reference

ZVG number

15690

1 reference

German Wikipedia

HSDB ID

1 reference

Hazardous Substances Data Bank

HSDB ID

publication date

28 October 2019

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

ISOBUTYL ALCOHOL (English)

10 May 2021

1 reference

DSSTOX compound identifier

0 references

0 references

1 reference

isobutyl alcohol (English)

ECHA Substance Infocard ID

19 November 2016

100.001.044

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.001.044

27 December 2018

2-methylpropan-1-ol (English)

quotation

CAS no.: 78-83-1 (English)

FL number

02.001

1 reference

quotation

CAS no.: 78-83-1 (English)

23 January 2021

02.001

1 reference

28 December 2019

2-METHYLPROPANOL (English)

quotation

CAS no.: 78-83-1 (English)

RxNorm ID

1363048

1 reference

isobutyl alcohol (English)

Human Metabolome Database ID

19 November 2016

0 references

1 reference

isobutyl alcohol (English)

19 November 2016

0 references

1 reference

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

isobutanol (English)

6 October 2016

1 reference

Encyclopædia Britannica Online ID

30 June 2018

science/isobutyl-alcohol

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Encyclopedia of China (Third Edition) ID

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1 reference

28 October 2013

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251

1 reference

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