cinnamyl acetate (CHEBI:31402)

ChEBI > Main

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name	cinnamyl acetate

ChEBI ID	CHEBI:31402

Definition	An acetate ester resulting from the formal condensation of cinnamyl alcohol with acetic acid. Found in cinnamon leaf oil.

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

Supplier Information

Download	Molfile XML SDF

Formula

C11H12O2

Net Charge

Average Mass

176.21180

Monoisotopic Mass

176.08373

InChI

InChI=1S/C11H12O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-8H,9H2,1H3

InChIKey

WJSDHUCWMSHDCR-UHFFFAOYSA-N

SMILES

CC(=O)OCC=Cc1ccccc1

Roles Classification
Biological Role(s):	metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

Application(s):	fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. insecticide Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.

ChEBI Ontology
Outgoing	cinnamyl acetate (CHEBI:31402) has functional parent cinnamyl alcohol (CHEBI:17177) cinnamyl acetate (CHEBI:31402) has role fragrance (CHEBI:48318) cinnamyl acetate (CHEBI:31402) has role insecticide (CHEBI:24852) cinnamyl acetate (CHEBI:31402) has role metabolite (CHEBI:25212) cinnamyl acetate (CHEBI:31402) is a acetate ester (CHEBI:47622)

IUPAC Name

3-phenylprop-2-en-1-yl acetate

Last Modified

12 July 2016