2-ethylbutyric acid (Q10844268)

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chemical compound

• Diethylacetic acid
• 2-ethylbutanoic acid

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Language	Label	Description	Also known as
English	2-ethylbutyric acid	chemical compound	Diethylacetic acid 2-ethylbutanoic acid

Statements

instance of

type of chemical entity

0 references

subclass of

carboxylic acid

0 references

branched chain fatty acids

0 references

chemical structure

2-Ethylbutanoic acid.svg
89 × 70; 5 KB

0 references

mass

116.084±0 dalton

1 reference

stated in

PubChem

PubChem CID

6915

language of work or name

English

title

2-ETHYLBUTYRIC ACID (English)

retrieved

14 October 2016

chemical formula

C₆H₁₂O₂

1 reference

stated in

PubChem

PubChem CID

6915

language of work or name

English

title

2-ETHYLBUTYRIC ACID (English)

retrieved

14 October 2016

canonical SMILES

CCC(CC)C(=O)O

1 reference

stated in

PubChem

PubChem CID

6915

language of work or name

English

title

2-ETHYLBUTYRIC ACID (English)

retrieved

14 October 2016

melting point

−15.0 degree Celsius

1 reference

stated in

Jean-Claude Bradley Open Melting Point Dataset

refractive index

1.4133±0.0001

0 references

found in taxon

Pelargonium graveolens

1 reference

stated in

Analysis of the acid fraction of reunion geranium oil (Pelargonium graveolens L'Her. ex Ait)

Nicotiana tabacum

1 reference

stated in

Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves

Commons category

2-Ethylbutanoic acid

0 references

Identifiers

InChI

InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)

1 reference

stated in

PubChem

PubChem CID

6915

language of work or name

English

title

2-ETHYLBUTYRIC ACID (English)

retrieved

14 October 2016

InChIKey

OXQGTIUCKGYOAA-UHFFFAOYSA-N

1 reference

stated in

PubChem

PubChem CID

6915

language of work or name

English

title

2-ETHYLBUTYRIC ACID (English)

retrieved

14 October 2016

CAS Registry Number

88-09-5

2 references

stated in

Global Substance Registration System

UNII

IDY8B990KE

language of work or name

English

title

2-ethylbutyric acid (English)

retrieved

14 October 2016

InChIKey

OXQGTIUCKGYOAA-UHFFFAOYSA-N

stated in

CAS Common Chemistry

retrieved

10 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=88-09-5

ChemSpider ID

6649

1 reference

stated in

ChemSpider

ChemSpider ID

6649

language of work or name

English

title

2-Ethylbutanoic acid (English)

retrieved

14 October 2016

PubChem CID

6915

1 reference

stated in

PubChem

PubChem CID

6915

language of work or name

English

title

2-ETHYLBUTYRIC ACID (English)

retrieved

14 October 2016

ChEBI ID

173424

mapping relation type

exact match

1 reference

stated in

ChEBI release 2022-06-13

ChEMBL ID

CHEMBL184290

1 reference

stated in

ChEMBL

ChEMBL ID

CHEMBL184290

language of work or name

English

title

ETHYLBUTYRIC ACID (English)

retrieved

14 October 2016

SureChEMBL ID

SCHEMBL6114

1 reference

based on heuristic

inferred from InChIKey

UniChem compound ID

437846

1 reference

stated in

UniChem

MassBank accession ID

MSBNK-Fac_Eng_Univ_Tokyo-JP009189

0 references

SPLASH

splash10-007c-9000000000-dbe4308a7aba1f8b1fdf

0 references

ZVG number

37570

0 references

DSSTox substance ID

DTXSID2041418

1 reference

stated in

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

DSSTOX compound identifier

DTXCID0021418

0 references

NSC number

8758

0 references

11765

0 references

EC number

201-796-4

1 reference

stated in

Global Substance Registration System

UNII

IDY8B990KE

language of work or name

English

title

2-ethylbutyric acid (English)

retrieved

14 October 2016

ECHA Substance Infocard ID

100.001.634

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.001.634

retrieved

27 December 2018

title

2-ethylbutyric acid (English)

quotation

CAS no.: 88-09-5 (English)

FL number

08.045

1 reference

quotation

CAS no.: 88-09-5 (English)

stated in

EFSA database

retrieved

23 January 2021

FL number

08.045

CosIng number

39837

1 reference

stated in

CosIng database

CosIng number

39837

retrieved

28 December 2019

title

2-ETHYLBUTYRIC ACID (English)

quotation

CAS no.: 88-09-5 (English)

PesticideInfo chemical ID

PRI272

0 references

AICS Chemical ID (BEING DELETED)

1569

0 references

Human Metabolome Database ID

HMDB0031221

1 reference

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00058836

1 reference

based on heuristic

inferred from InChIKey

UNII

IDY8B990KE

1 reference

stated in

Global Substance Registration System

UNII

IDY8B990KE

language of work or name

English

title

2-ethylbutyric acid (English)

retrieved

14 October 2016

Probes And Drugs ID

PD124085

0 references

LIPID MAPS ID

LMFA01020077

1 reference

stated in

LIPID MAPS

reference URL

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

retrieved

30 June 2018

Google Knowledge Graph ID

/g/155pzs81

0 references

JECFA database ID

4298

0 references

JECFA number

257

1 reference

stated in

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

retrieved

10 November 2021

 

Sitelinks

Wikipedia(3 entries)

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• dewiki 2-Ethylbuttersäure
• ptwiki Ácido 2-etilbutírico
• zhwiki 2-乙基丁酸

Wikibooks(0 entries)

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Wikinews(0 entries)

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Wikiquote(0 entries)

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Wikisource(0 entries)

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Wikiversity(0 entries)

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Wikivoyage(0 entries)

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Wiktionary(0 entries)

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Multilingual sites(1 entry)

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• commonswiki Category:2-Ethylbutanoic acid

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