phenethyl benzoate (CHEBI:156233)

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ChEBI Name	phenethyl benzoate

ChEBI ID	CHEBI:156233

Definition	A benzoate ester resulting from the formal condensation of the carboxy group of benzoic acid with the hydroxy group of 2-phenylethanol.

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

Submitter	Anne Morgat

Supplier Information

Download	Molfile XML SDF

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Formula

C15H14O2

Net Charge

Average Mass

226.275

Monoisotopic Mass

226.09938

InChI

InChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2

InChIKey

OSORMYZMWHVFOZ-UHFFFAOYSA-N

SMILES

C=1C=CC=CC1CCOC(=O)C=2C=CC=CC2

Metabolite of Species	Details
Nicotiana bonariensis (NCBI:txid118694)	See: PubMed
Citharexylum sp.nosum (NCBI:txid222865)	Found in flower (BTO:0000469). See: PubMed
Plumeria rubra (NCBI:txid62097)	Found in flower (BTO:0000469). See: DOI

Roles Classification
Biological Role(s):	plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil.

ChEBI Ontology
Outgoing	phenethyl benzoate (CHEBI:156233) has functional parent 2-phenylethanol (CHEBI:49000) phenethyl benzoate (CHEBI:156233) has functional parent benzoic acid (CHEBI:30746) phenethyl benzoate (CHEBI:156233) has role plant metabolite (CHEBI:76924) phenethyl benzoate (CHEBI:156233) has role volatile oil component (CHEBI:27311) phenethyl benzoate (CHEBI:156233) is a benzoate ester (CHEBI:36054)

IUPAC Name

2-phenylethyl benzoate

Synonyms	Sources
benzoic acid 2-phenylethyl ester	ChEBI
benzoic acid phenethyl ester	ChEBI
benzoic acid, 2-phenylethyl ester	ChemIDplus
benzoic acid, phenethyl ester	ChemIDplus
benzyl carbinyl benzoate	ChemIDplus
benzylcarbinyl benzoate	ChemIDplus
phenethyl alcohol, benzoate	ChemIDplus
phenethyl benzoate	UniProt
phenylethyl benzoate	MetaCyc

Last Modified

27 July 2020