(Q209388)

Gene Ontology release 2020-05-02

Rhea release 113

chemical structure

2-Ethylhexanol.svg
275 × 104; 5 KB

1 reference

imported from Wikimedia project

German Wikipedia

2-Ethylhexanol 2D.svg
305 × 114; 5 KB

0 references

image of molecular model or crystal lattice model

2-Ethylhexanol-3D-balls.png
2,000 × 1,493; 424 KB

depicts

ball-and-stick model

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mass

130.136 dalton

1 reference

2-Ethylhexan-1-ol (English)

18 November 2016

chemical formula

C₈H₁₈O

1 reference

2-Ethylhexan-1-ol (English)

18 November 2016

canonical SMILES

CCCCC(CC)CO

1 reference

2-Ethylhexan-1-ol (English)

18 November 2016

melting point

−76.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

−70 degree Celsius

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

boiling point

184.62 degree Celsius

under pressure

101.325 kilopascal

1 reference

Basic laboratory and industrial chemicals: A CRC quick reference handbook

found in taxon

Camellia sinensis

1 reference

Enantiomeric separation of chiral components reported to be in coffee, tea, or cocoa

maize

2 references

Volatiles of corn kernels and husks: possible corn ear worm attractants

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

Vitis rotundifolia

1 reference

Volatile constituents of the muscadine grape (Vitis rotundifolia)

Artemisia monosperma

1 reference

Study of Essential Oil of Artemisia monosperma and its Larvicidal Effect

Actinidia chinensis

1 reference

Volatile constituents of kiwi fruit (Actinidia chinensis Planch.)

Plectranthus glabratus

1 reference

Volatile Constituents of the Headspace and Essential Oil ofPlectranthus coleoidesMarginatus (Labiatae)

Juglans nigra

1 reference

Headspace Constituents of FreshJuglans nigraL. Peels

Allium ampeloprasum

1 reference

Volatile Compounds in Leek and Asafoetida

Polygala senega

1 reference

Volatile compounds ofPolygala senega L. var.latifolia Torrey et Gray roots

Cichorium endivia

1 reference

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

Basella alba

1 reference

Volatile flavor components of malabar-nightshade (Basella rubra L.)

Origanum vulgare

1 reference

Essential Oil Composition of FourOriganum vulgareSubspecies of Anatolian Origin

Alpinia chinensis

1 reference

Chemical Composition of the Flower Oil ofAlpinia chinensisRosc, from Vietnam

Cedronella canariensis

1 reference

Chavicol β-d-glucoside, a phenylpropanoid heteroside, benzyl-β-d-glucoside and glycosidically bound volatiles from subspecies of Cedronella canariensis

Phytolacca acinosa

1 reference

Triterpenoids from Phytolacca acinosa

Lonicera japonica

1 reference

Genetic variation and metabolic pathway intricacy govern the active compound content and quality of the Chinese medicinal plant Lonicera japonica thunb

Arctostaphylos uva-ursi

1 reference

Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae).

0 references

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2-Ethylhexanol

0 references

Identifiers

J9U ID

987007542336605171

1 reference

National Library of Israel Names and Subjects Authority File

Library of Congress authority ID

sh2006000703

0 references

InChI

InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3

1 reference

2-Ethylhexan-1-ol (English)

18 November 2016

2 references

2-Ethylhexan-1-ol (English)

18 November 2016

ChEBI release 2020-09-01

CAS Registry Number

104-76-7

2 references

Global Substance Registration System

2-ethylhexanol (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=104-76-7

9 April 2021

1 reference

2-Ethylhexanol (English)

18 November 2016

2 references

2-Ethylhexan-1-ol (English)

18 November 2016

Reaxys registry number

1719280

1 reference

2-ethylhexan-1-ol (English)

4 October 2016

ChEBI ID

16011

mapping relation type

2 references

CHEMBL31637 (English)

18 November 2016

International Chemical Identifier

InChI

InChI=1S/C8H18O/c1-3-5-6-8(4-2)7-9/h8-9H,3-7H2,1-2H3

1 reference

CHEMBL31637 (English)

18 November 2016

2 references

inferred from InChIKey

MSBNK-Fac_Eng_Univ_Tokyo-JP003420

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP003598

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MSBNK-Fac_Eng_Univ_Tokyo-JP006858

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SPLASH

splash10-0a4l-9000000000-95177f2f4a0e7724cc32

0 references

splash10-0a4l-9000000000-4e3f8e8046c7b7f5b3c7

0 references

splash10-0a4l-9000000000-123187d57878f5d5685c

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NMRShiftDB structure ID

20096527

1 reference

Hazardous Substances Data Bank

0 references

0 references

0 references

1 reference

28 October 2019

2-ETHYL-1-HEXANOL (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

1 reference

Global Substance Registration System

2-ethylhexanol (English)

ECHA Substance Infocard ID

18 November 2016

100.002.941

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.002.941

27 December 2018

OSHA Occupational Chemical Database ID

2-ethylhexan-1-ol (English)

quotation

CAS no.: 104-76-7 (English)

893

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FL number

02.082

1 reference

quotation

CAS no.: 104-76-7 (English)

23 January 2021

02.082

PesticideInfo chemical ID

PRI269

0 references

Nikkaji ID

J3.604H

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Human Metabolome Database ID

HMDB0031231

2 references

based on heuristic

inferred from InChIKey

2 references

Global Substance Registration System

2-ethylhexanol (English)

18 November 2016

imported from Wikimedia project

KEGG ID

C02498

1 reference

1 reference

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

30 June 2018

1 reference

28 October 2013

0 references

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267

1 reference

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