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Compound Summary

General Compound Information

2-ethylbutanoic acid

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Description

2-Ethylbutanoic acid is a branched-chain fatty acid.

Synonyms

2-ETHYLBUTYRIC ACID; 2-Ethylbutanoic acid; 88-09-5; Diethylacetic acid; Butanoic acid, 2-ethyl-;

Acetic acid, diethyl-;3-Pentanecarboxylic acid;2-Ethyl butanoic acid;Butyric acid, 2-ethyl-;diethyl acetic acid;2-Ethyl-butyric acid;alpha-Ethylbutyric acid;alpha-Ethylbuytyric acid;Kyselina diethyloctova;2-ethyl-butanoic acid;FEMA No. 2429;.alpha.-Ethylbutyric acid;NSC 11765;2-ethyl butyric acid;2-Ethyl-n-butyric acid;(C2H5)2CHCOOH;IDY8B990KE;DTXSID2041418;NSC-11765;a-Ethylbutyric Acid;WLN: QVY2&2;3-Pentane-Carboxylic Acid;Kyselina diethyloctova [Czech];EINECS 201-796-4;UNII-IDY8B990KE;BRN 1098634;AI3-04629;Diathylessigsaure;ethylbutyric acid;diethyl-acetic acid;2-Ethylbutanoicacid;pentane-3-carboxylic acid;2-Ethylbutyric acid, 8CI;SCHEMBL6114;2-Ethylbutyric acid, 99%;4-02-00-00950 (Beilstein Handbook Reference);CHEMBL184290;DIETHYLACETIC ACID [MI];DTXCID0021418;FEMA 2429;NSC8758;CHEBI:173424;ZINC388073;2-ETHYLBUTYRIC ACID [FCC];2-ETHYLBUTYRIC ACID [FHFI];NSC-8758;NSC11765;STR03488;Tox21_301054;BBL018400;LMFA01020077;MFCD00002670;s6057;STL168031;AKOS000120398;CS-W004154;HY-W004154;CAS-88-09-5;NCGC00248269-01;NCGC00254956-01;2-Ethylbutyric acid, >=98%, FCC, FG;DB-057043;E0070;FT-0624869;EN300-20446;E77046;Q-200275;Q10844268;F2191-0102;

FlavorDB ID

2786

PUBCHEM ID

Molecular Weight

116.16 Molecular Formula

C6H12O2

Openeye Can Smiles

CCC(CC)C(=O)O

IUPAC Inchikey

OXQGTIUCKGYOAA-UHFFFAOYSA-N

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Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Food Additive Safety (OFAS)
2-ETHYLBUTYRIC ACID is used for FLAVORING AGENT OR ADJUVANT. More food additive safty information please view GRAS report.

EFSA's chemical Hazards Database : OpenFoodTox
This compound is found in OpenFoodTox with the name: 2-Ethylbutyric acid

Reference point : Defined point on an experimental dose–response relationship for the critical effect. This term is synonymous to Point of departure (USA). Reference points include the lowest or no observed adverse effect level (LOAEL/NOAEL) or benchmark dose lower confidence limit (BDML), used to derive a reference value or Margin of Exposure in human and animal health risk assessment. In the ecological area, these include lethal dose (LD50), effect concentration (EC5/ECx), no (adverse) effect concentration/dose (NOEC/NOAEC/NOAED), no (adverse) effect level (NEL/NOAEL), hazard concentration (HC5/HCx) derived from a Species Sensitivity Distributions (SSD) for the ecosystem (EFSA Scientific Committee,2018). Citation: DOI 10.5281/zenodo.4740174

Output ID	SPECIES	Route	Duration Days	END POINT	QUALIFIER	VALUE	UNIT	EFFECT
2025	Rat	oral: gavage	10	NOAEL	=	200	mg/kg bw/day	no adverse effect observed at single/highest dose
2240	Rat	oral: gavage	10	NOAEL	=	200	mg/kg bw/day	no adverse effect observed at single/highest dose
2068	Rat	oral: gavage	10	NOAEL	=	200	mg/kg bw/day	no adverse effect observed at single/highest dose
2114	Rat	oral: gavage	10	NOAEL	=	200	mg/kg bw/day	no adverse effect observed at single/highest dose
2180	Rat	oral: gavage	10	NOAEL	=	200	mg/kg bw/day	no adverse effect observed at single/highest dose
615	Rat	oral: feed	90	NOAEL	>	300	mg/kg bw/day	no adverse effect observed at single/highest dose

Reference Value

Reference Value : The estimated maximum dose (on a body mass basis) or the concentration of an agent to which an individual may be exposed over a specified period without appreciable risk. Reference values are established by applying an uncertainty factor to the reference point. Examples of reference values in human health include acceptable daily intake (ADI) for food and feed additives, and pesticides, tolerable upper intake levels (UL) for vitamins and minerals, and tolerable daily intake (TDI) for contaminants and food contact materials. For acute effects and operators, the acute reference dose (ARfD) and the acceptable operator exposure level (AOEL). In animal health and the ecological area, these include safe feed concentrations and the Predicted no effect concentration (PNEC) respectively (EFSA Scientific Committee, 2018). Citation: DOI 10.5281/zenodo.4740174

OUTPUT ID	ASSESSMENT	QUALIFIER	VALUE	UNIT	POPULATION
615	MSI/FC	=	8	mg/kg	Chicken for egg production
615	MSI/FC	=	8	mg/kg	Chicken for meat production
615	MSI/FC	=	10	mg/kg	Pigs - less than 1 year old
615	MSI/FC	=	15	mg/kg	Turkeys for meat production
615	MSI/FC	=	16	mg/kg	Cattle for milk production
615	MSI/FC	=	17	mg/kg	Pigs for meat production
615	MSI/FC	=	17	mg/kg	Pigs for reproduction
615	MSI/FC	=	25	mg/kg	Cats as pet
615	MSI/FC	=	25	mg/kg	Cattle for meat production
615	MSI/FC	=	25	mg/kg	Cattle for meat production - less than 1 year old
615	MSI/FC	=	25	mg/kg	Salmons
615	MSI/FC	=	30	mg/kg	Dogs as pet
615	critical study not identified		0		Workers

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA AFC	2004	2025	Negative
EFSA AFC	2008	2240	Negative
EFSA CEF	2011	2068	Not determined
EFSA CEF	2011	2114	Not determined
EFSA CEF	2013	2180	Not determined
EFSA FEEDAP	2012	615	Not determined

EFSA Outputs

Output ID	Title	DOI	Published
615	Scientific Opinion on the safety and efficacy of branched-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing branched-chain alcohols and acetals containing branched-chain aldehydes (chemical group 2) when used as flavourings for all animal species	doi:10.2903/j.efsa.2012.2927	26Oct2012
2025	Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 6 (FGE.06): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)	doi:10.2903/j.efsa.2004.108	03Nov2004
2068	Scientific Opinion on Flavouring Group Evaluation 06, Revision 2 (FGE.06Rev2): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4	doi:10.2903/j.efsa.2011.1844	17Mar2011
2114	Scientific Opinion on Flavouring Group Evaluation 06, Revision 3 (FGE.06Rev3): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4	doi:10.2903/j.efsa.2011.2397	08Nov2011
2180	Scientific Opinion on Flavouring Group Evaluation 06, Revision 4 (FGE.06Rev4): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids and esters from chemical groups 1, 3 and 4	doi:10.2903/j.efsa.2013.3091	20Feb2013
2240	Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4(Commission Regulation (EC) No 1565/2000 of 18 July 2000) Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission	doi:10.2903/j.efsa.2008.616	21May2008

Receptors

Receptor information of this compound is not available!

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive

Content

Compound Summary

2-ethylbutanoic acid

Description

2-Ethylbutanoic acid is a branched-chain fatty acid.

Synonyms

2-ETHYLBUTYRIC ACID; 2-Ethylbutanoic acid; 88-09-5; Diethylacetic acid; Butanoic acid, 2-ethyl-;

FlavorDB ID

2786

PUBCHEM ID

6915

Molecular Weight

116.16

Molecular Formula

C6H12O2

Openeye Can Smiles

CCC(CC)C(=O)O

IUPAC Inchikey

OXQGTIUCKGYOAA-UHFFFAOYSA-N

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Content

Compound Summary

2-ethylbutanoic acid

Description

2-Ethylbutanoic acid is a branched-chain fatty acid.

Synonyms

2-ETHYLBUTYRIC ACID; 2-Ethylbutanoic acid; 88-09-5; Diethylacetic acid; Butanoic acid, 2-ethyl-;

FlavorDB ID

2786

PUBCHEM ID

6915

Molecular Weight

116.16

Molecular Formula

C6H12O2

Openeye Can Smiles

CCC(CC)C(=O)O

IUPAC Inchikey

OXQGTIUCKGYOAA-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

OpenFoodTox: component 2-Ethylbutyric acid

GC-MS Spectrum