3-phenylpropyl acetate (CHEBI:81257)

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ChEBI Name	3-phenylpropyl acetate

ChEBI ID	CHEBI:81257

Definition	The acetate ester of 3-phenylpropan-1-ol.

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

Supplier Information

Download	Molfile XML SDF

Formula

C11H14O2

Net Charge

Average Mass

178.228

Monoisotopic Mass

178.09938

InChI

InChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3

InChIKey

JRJGKUTZNBZHNK-UHFFFAOYSA-N

SMILES

C(CCOC(C)=O)C1=CC=CC=C1

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.

ChEBI Ontology
Outgoing	3-phenylpropyl acetate (CHEBI:81257) has role fragrance (CHEBI:48318) 3-phenylpropyl acetate (CHEBI:81257) has role metabolite (CHEBI:25212) 3-phenylpropyl acetate (CHEBI:81257) is a acetate ester (CHEBI:47622) 3-phenylpropyl acetate (CHEBI:81257) is a benzenes (CHEBI:22712)

IUPAC Name

3-phenylpropyl acetate

Last Modified

01 September 2015