CHEBI:72775 - methyl benzoate

ChEBI IDCHEBI:72775
ChEBI Namemethyl benzoate
Stars
DefinitionA benzoate ester obtained by condensation of benzoic acid and methanol.
Last Modified22 May 2016
SubmitterKAX
DownloadsMolfile
FormulaC8H8O2
Net Charge0
Average Mass136.150
Monoisotopic Mass136.05243
SMILESCOC(=O)c1ccccc1
InChIInChI=1S/C8H8O2/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyQPJVMBTYPHYUOC-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
insect attractant  A chemical that attracts insects.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
methyl benzoate (CHEBI:72775) has role insect attractant (CHEBI:24850)
methyl benzoate (CHEBI:72775) has role metabolite (CHEBI:25212)
methyl benzoate (CHEBI:72775) is a benzoate ester (CHEBI:36054)
methyl benzoate (CHEBI:72775) is a methyl ester (CHEBI:25248)
IUPAC Name 
methyl benzoate
Synonyms  Source
Benzoic acid, methyl esterChemIDplus
Methyl benzenecarboxylateChemIDplus
UniProt Name  Source
methyl benzoateUniProt
Manual XrefsDatabases
CPD-6441MetaCyc
HMDB0033968HMDB
Methyl_benzoateWikipedia
Registry NumbersSources
Reaxys:1072099Reaxys
CAS:93-58-3ChemIDplus
CAS:93-58-3NIST Chemistry WebBook
Citations