ETHYL CYCLOHEXANECARBOXYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H16O2
Molecular Weight	156.2221
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of ETHYL CYCLOHEXANECARBOXYLATE

Structure Search

SMILES

CCOC(=O)C1CCCCC1

InChI

InChIKey=JJOYCHKVKWDMEA-UHFFFAOYSA-N

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

HIDE SMILES / InChI

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/17069823

Ethyl cyclohexanecarboxylate is an aroma compound found in wines. It has the odor of liquorices and anise.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
Multidimensional chromatographic approach applied to the identification of novel aroma compounds in wine. Identification of ethyl cyclohexanoate, ethyl 2-hydroxy-3-methylbutyrate and ethyl 2-hydroxy-4-methylpentanoate.	2006 Dec 29	17069823
Solid phase extraction, multidimensional gas chromatography mass spectrometry determination of four novel aroma powerful ethyl esters. Assessment of their occurrence and importance in wine and other alcoholic beverages.	2007 Jan 26	17137585
The chemical characterization of the aroma of dessert and sparkling white wines (Pedro Ximénez, Fino, Sauternes, and Cava) by gas chromatography-olfactometry and chemical quantitative analysis.	2008 Apr 9	18338867

Sample Use Guides

In Vivo Use Guide

Unknown

Route of Administration: Unknown

In Vitro Use Guide

Unknown

Name

Type

Language

ETHYL CYCLOHEXANECARBOXYLATE

Systematic Name

English

NSC-5298

Code

English

ETHYL HEXAHYDROBENZOATE

Systematic Name

English

CYCLOHEXANECARBOXYLIC ACID, ETHYL ESTER

Common Name

English

ETHOXYCARBONYLCYCLOHEXANE

Systematic Name

English

FEMA NO. 3544

Code

English

ETHYL CYCLOHEXANECARBOXYLATE [FHFI]

Common Name

English

Classification Tree Code System Code

JECFA EVALUATION

ETHYL CYCLOHEXANECARBOXYLATE