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Receptors

Compound Summary

General Compound Information

4-ethyloctanoic acid

Click to view/hide 3D structure

Description

It is used as a food additive

Synonyms

4-Ethyloctanoic acid; 16493-80-4; Octanoic acid, 4-ethyl-; 4-Ethylcaprylic acid; F9ESD8LYSQ;

4-ETHYLOCTANOICACID;MFCD00506494;UNII-F9ESD8LYSQ;EINECS 240-560-5;4-ethyl octanoic acid;SCHEMBL180777;CHEMBL1789171;FEMA NO. 3800;FEMA 3800;2,4-DICHLOROBENZYLCYANIDE;DTXSID40864683;CHEBI:179551;BCP25734;4-ETHYLOCTANOIC ACID [FHFI];AC7928;LMFA01030983;s6039;4-Ethyloctanoic acid, >=98%, FG;(+/-)-4-ETHYLOCTANOIC ACID;AKOS009157817;CS-W016023;HY-W015307;4-ETHYLOCTANOIC ACID, (+/-)-;AS-15968;SY060410;DB-003480;FT-0655052;EN300-7361734;A810607;W-107938;Q27277849;

FlavorDB ID

3196

PUBCHEM ID

Molecular Weight

172.26 Molecular Formula

C10H20O2

Openeye Can Smiles

CCCCC(CC)CCC(=O)O

IUPAC Inchikey

PWKJMPFEQOHBAC-UHFFFAOYSA-N

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Food Additive Safety (OFAS)
4-ETHYLOCTANOIC 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: 4-Ethyloctanoic 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

Reference point information of this compound is not available!

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
2375	TTC Cramer Class I	=	30	µg/kg bw/day	Consumers

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA CEF	2010	2050	Negative
EFSA CEF	2013	2375	Negative

EFSA Outputs

Output ID	Title	DOI	Published
2050	Scientific Opinion on Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010).	doi:10.2903/j.efsa.2010.1402	13Oct2010
2375	Scientific Opinion on Flavouring Group Evaluation 72, Revision 1 (FGE.72Rev1): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids, esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2. EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)	doi:10.2903/j.efsa.2013.3392	16Oct2013

Receptors

Receptor information of this compound is not available!

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental LCMS	view	LCMS_Positive	positive
Experimental LCMS	view	LCMS_Negative	negative

Content

Compound Summary

4-ethyloctanoic acid

Description

It is used as a food additive

Synonyms

4-Ethyloctanoic acid; 16493-80-4; Octanoic acid, 4-ethyl-; 4-Ethylcaprylic acid; F9ESD8LYSQ;

FlavorDB ID

3196

PUBCHEM ID

61840

Molecular Weight

172.26

Molecular Formula

C10H20O2

Openeye Can Smiles

CCCCC(CC)CCC(=O)O

IUPAC Inchikey

PWKJMPFEQOHBAC-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Content

Compound Summary

4-ethyloctanoic acid

Description

It is used as a food additive

Synonyms

4-Ethyloctanoic acid; 16493-80-4; Octanoic acid, 4-ethyl-; 4-Ethylcaprylic acid; F9ESD8LYSQ;

FlavorDB ID

3196

PUBCHEM ID

61840

Molecular Weight

172.26

Molecular Formula

C10H20O2

Openeye Can Smiles

CCCCC(CC)CCC(=O)O

IUPAC Inchikey

PWKJMPFEQOHBAC-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

OpenFoodTox: component 4-Ethyloctanoic acid

GC-MS Spectrum

GC-MS Spectrum