CHEBI:41237 - benzyl benzoate

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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 0
Average Mass 212.24388
Monoisotopic Mass 212.084
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).
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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
Manual Xrefs Databases
1473 PPDB
1473 VSDB
335 DrugCentral
Benzyl_Benzoate Wikipedia
BZM PDBeChem
CPD-6443 MetaCyc
D01138 KEGG DRUG
DB00676 DrugBank
HMDB0014814 HMDB
View more database links
Registry Numbers Types Sources
120-51-4 CAS Registry Number KEGG COMPOUND
120-51-4 CAS Registry Number ChemIDplus
120-51-4 CAS Registry Number NIST Chemistry WebBook
2049280 Beilstein Registry Number Beilstein
2049280 Reaxys Registry Number Reaxys
261816 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
18247142 PubMed citation Europe PMC
19681271 PubMed citation Europe PMC
24146308 PubMed citation Europe PMC
24520907 PubMed citation Europe PMC
24761672 PubMed citation Europe PMC
Last Modified
22 February 2017