ethyl cyclohexanecarboxylate (CHEBI:88965)

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ChEBI Name	ethyl cyclohexanecarboxylate

ChEBI ID	CHEBI:88965

Definition	An ethyl ester resulting from the formal condensation of the carboxy group of cyclohexanecarboxylic acid with ethanol.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

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Formula

C9H16O2

Net Charge

Average Mass

156.225

Monoisotopic Mass

156.11503

InChI

InChI=1S/C9H16O2/c1-2-11-9(10)8-6-4-3-5-7-8/h8H,2-7H2,1H3

InChIKey

JJOYCHKVKWDMEA-UHFFFAOYSA-N

SMILES

CCOC(=O)C1CCCCC1

Metabolite of Species	Details
Olea europaea (NCBI:txid4146)	See: PubMed
Homo sapiens (NCBI:txid9606)	Found in faeces (UBERON:0001988). See: PubMed

Roles Classification
Biological Role(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	ethyl cyclohexanecarboxylate (CHEBI:88965) has functional parent cyclohexanecarboxylic acid (CHEBI:36096) ethyl cyclohexanecarboxylate (CHEBI:88965) has role flavouring agent (CHEBI:35617) ethyl cyclohexanecarboxylate (CHEBI:88965) has role human metabolite (CHEBI:77746) ethyl cyclohexanecarboxylate (CHEBI:88965) has role plant metabolite (CHEBI:76924) ethyl cyclohexanecarboxylate (CHEBI:88965) is a ethyl ester (CHEBI:23990) ethyl cyclohexanecarboxylate (CHEBI:88965) is a volatile organic compound (CHEBI:134179)

IUPAC Name

ethyl cyclohexanecarboxylate

Synonyms	Sources
cyclohexanecarboxylic acid ethyl ester	ChEBI
cyclohexanecarboxylic acid, ethyl ester	ChemIDplus
ethoxycarbonylcyclohexane	ChemIDplus
ethyl cyclohexanoate	HMDB
ethyl cyclohexanocarboxylate	HMDB
ethyl cyclohexylcarboxylate	ChemIDplus
ethyl cyclohexylformate	ChemIDplus
ethyl cyclohexylmethanoate	HMDB
ethyl hexahydrobenzoate	ChemIDplus
FEMA 3544	ChemIDplus

Last Modified

05 March 2021