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Compound Summary

General Compound Information

methyl cyclohexanecarboxylate

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Description

Methyl cyclohexanecarboxylate is a cycloalkane.

Synonyms

Methyl cyclohexanecarboxylate; 4630-82-4; Methyl cyclohexanoate; Hexahydrobenzoic acid methyl ester; CYCLOHEXANECARBOXYLIC ACID, METHYL ESTER;

Methyl cyclohexylcarboxylate;Methyl hexahydrobenzoate;Cyclohexanecarboxylic Acid Methyl Ester;Methyl cyclohexylformate;FEMA No. 3568;methylcyclohexanecarboxylate;vanilla carboxylate;C8H14O2;Methyl ester of cyclohexanecarboxylic acid;96144H696Q;methyl cyclohexane carboxylate;EINECS 225-050-2;BRN 1306359;AI3-04803;UNII-96144H696Q;methyl cyclohexancarboxylate;c-C6H11COOCH3;methylcyclohexane carboxylate;SCHEMBL18552;methyl cyclohexane-carboxylate;methyl-cyclohexane carboxylate;4-09-00-00017 (Beilstein Handbook Reference);cyclohexanecarboxylic acid methyl;DTXSID9074303;CHEBI:88845;FEMA 3568;Methyl cyclohexanecarboxylate, 98%;MFCD00001458;s6299;ZINC12405046;AKOS008903582;Methyl cyclohexanecarboxylate, >=98%;CS-W007704;HY-W007704;Cyclohexane carboxylic acid methyl ester;cyclohexane-carboxylic acid methyl ester;cyclohexane carboxylic acid, methyl ester;AS-13138;DB-051370;METHYL CYCLOHEXANECARBOXYLATE [FHFI];FT-0628721;Cyclohexanecarboxylic Acid Methyl Ester-[d11];D77686;EN300-130684;A827025;W-106094;Q27160838;

FlavorDB ID

2953

PUBCHEM ID

Molecular Weight

142.2 Molecular Formula

C8H14O2

Openeye Can Smiles

COC(=O)C1CCCCC1

IUPAC Inchikey

ZQWPRMPSCMSAJU-UHFFFAOYSA-N

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

Food Additive Safety (OFAS)
METHYL CYCLOHEXANECARBOXYLATE is used for FLAVOR ENHANCER, 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: Methyl cyclohexanecarboxylate

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
2286	TTC Cramer Class I	=	30	µg/kg bw/day	Consumers
2130	TTC Cramer Class I	=	30	µg/kg bw/day	Consumers
2376	TTC Cramer Class I	=	30	µg/kg bw/day	Consumers
2561	TTC Cramer Class I	=	30	µg/kg bw/day	Consumers

Genotoxicity

Author	YEAR	OUTPUT ID	Genotoxicity
EFSA AFC	2008	2286	Not determined
EFSA CEF	2012	2130	Not determined
EFSA CEF	2013	2376	Not determined
EFSA CEF	2014	2561	No data

EFSA Outputs

Output ID	Title	DOI	Published
2130	Scientific Opinion on Flavouring Group Evaluation 73, Revision 1 (FGE.73Rev1): Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohol, aldehyde, and esters evaluated by EFSA in FGE.12Rev2 (2011)EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)	doi:10.2903/j.efsa.2012.2638	28Mar2012
2286	Flavouring Group Evaluation 73, (FGE.73). Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohol, aldehyde and esters evaluated by EFSA in FGE.12 (2005). Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food	doi:10.2903/j.efsa.2008.868	10Nov2008
2376	Scientific Opinion on Flavouring Group Evaluation 73, Revision 2 (FGE.73Rev2): Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev3 (2012). EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)	doi:10.2903/j.efsa.2013.3393	16Oct2013
2561	Scientific Opinion on Flavouring Group Evaluation 73, Revision 3 (FGE.73Rev3): Consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev4 (2013)	doi:10.2903/j.efsa.2014.3862	15Oct2014

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

methyl cyclohexanecarboxylate

Description

Methyl cyclohexanecarboxylate is a cycloalkane.

Synonyms

Methyl cyclohexanecarboxylate; 4630-82-4; Methyl cyclohexanoate; Hexahydrobenzoic acid methyl ester; CYCLOHEXANECARBOXYLIC ACID, METHYL ESTER;

FlavorDB ID

2953

PUBCHEM ID

20748

Molecular Weight

142.2

Molecular Formula

C8H14O2

Openeye Can Smiles

COC(=O)C1CCCCC1

IUPAC Inchikey

ZQWPRMPSCMSAJU-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

Content

Compound Summary

methyl cyclohexanecarboxylate

Description

Methyl cyclohexanecarboxylate is a cycloalkane.

Synonyms

Methyl cyclohexanecarboxylate; 4630-82-4; Methyl cyclohexanoate; Hexahydrobenzoic acid methyl ester; CYCLOHEXANECARBOXYLIC ACID, METHYL ESTER;

FlavorDB ID

2953

PUBCHEM ID

20748

Molecular Weight

142.2

Molecular Formula

C8H14O2

Openeye Can Smiles

COC(=O)C1CCCCC1

IUPAC Inchikey

ZQWPRMPSCMSAJU-UHFFFAOYSA-N

Network

Shown in network

Similarity

Show/Hide similarity panel

OpenFoodTox: component Methyl cyclohexanecarboxylate

GC-MS Spectrum