ChEBI logo

ChEBI


    The database and ontology of Chemical Entities of Biological Interest

spacer

benzyl benzoate (CHEBI:41237)

Search for only All in ChEBI

Main     ChEBI Ontology     Automatic Xrefs      
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
Supplier Information
See structure as:  Image  Applet
Save molfile Download Molfile
more structures >>
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula Source
C14H12O2 KEGG DRUG
Net Charge 0
Average Mass 212.24388
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
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): acaricide
A substance used to destroy pests of the subclass Acari (mites and ticks).
scabicide
An acaricide that kills mites of the genus Sarcoptes.
View more on the ChEBI Ontology
ChEBI Ontology
Outgoing benzyl benzoate (CHEBI:41237) has functional parent benzoic acid (CHEBI:30746)
benzyl benzoate (CHEBI:41237) has functional parent benzyl alcohol (CHEBI:17987)
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)
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
Database Links Databases
Benzyl_Benzoate Wikipedia
BZM PDBeChem
CPD-6443 MetaCyc
D01138 KEGG DRUG
DB00676 DrugBank
HMDB14814 HMDB
View more database links
Registry Numbers Types Sources
120-51-4 CAS Registry Number KEGG COMPOUND
120-51-4 CAS Registry Number NIST Chemistry WebBook
120-51-4 CAS Registry Number ChemIDplus
2049280 Beilstein Registry Number Beilstein
2049280 Reaxys Registry Number Reaxys
261816 Gmelin Registry Number Gmelin
Citations Waiting for Citations Types Sources
18247142 PubMed citation CiteXplore
19681271 PubMed citation CiteXplore
24146308 PubMed citation CiteXplore
24520907 PubMed citation CiteXplore
24761672 PubMed citation CiteXplore
General Comment
2014-05-21 Species Info: Polyalthia; Tax id: NCBI: 105756; Citation: MED:24520907
 
Last Modified
21 May 2014

spacer
spacer