benzyl benzoate (CHEBI:41237)

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ChEBI Name	benzyl benzoate

ChEBI ID	CHEBI:41237

Definition	A benzoate ester obtained by the formal condensation of benzoic acid with benzyl alcohol. It has been isolated from the plant species of the genus Polyalthia.

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

Secondary ChEBI IDs	CHEBI:41230, CHEBI:31267

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Formula

C14H12O2

Net Charge

Average Mass

212.24388

Monoisotopic Mass

212.08373

InChI

InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2

InChIKey

SESFRYSPDFLNCH-UHFFFAOYSA-N

SMILES

O=C(OCc1ccccc1)c1ccccc1

Metabolite of Species	Details
Polyalthia (NCBI:txid105756)	See: PubMed

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.

Application(s):	scabicide An acaricide that kills mites of the genus Sarcoptes. acaricide A substance used to destroy pests of the subclass Acari (mites and ticks).

ChEBI Ontology
Outgoing	benzyl benzoate (CHEBI:41237) has functional parent benzoic acid (CHEBI:30746) benzyl benzoate (CHEBI:41237) has role acaricide (CHEBI:22153) benzyl benzoate (CHEBI:41237) has role plant metabolite (CHEBI:76924) benzyl benzoate (CHEBI:41237) has role scabicide (CHEBI:73333) benzyl benzoate (CHEBI:41237) is a benzoate ester (CHEBI:36054) benzyl benzoate (CHEBI:41237) is a benzyl ester (CHEBI:90628)

IUPAC Name

benzyl benzoate

Synonyms	Sources
Benylate	ChemIDplus
BENZOIC ACID PHENYLMETHYLESTER	PDBeChem
benzoic acid, benzyl ester	NIST Chemistry WebBook
benzoic acid, phenylmethyl ester	ChemIDplus
benzyl benzoate	UniProt
phenylmethyl benzoate	ChemIDplus

Last Modified

22 February 2017