EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:9627 - Tolylacetate

ChEBI IDCHEBI:9627
ChEBI NameTolylacetate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC9H10O2
Net Charge0
Average Mass150.177
Monoisotopic Mass150.06808
SMILESCC(=O)Oc1ccc(C)cc1
InChIInChI=1S/C9H10O2/c1-7-3-5-9(6-4-7)11-8(2)10/h3-6H,1-2H3
InChIKeyCDJJKTLOZJAGIZ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Tolylacetate (CHEBI:9627) is a benzoate ester (CHEBI:36054)
Tolylacetate (CHEBI:9627) is a phenols (CHEBI:33853)
Synonyms  Source
TolylacetateKEGG COMPOUND
p-Cresyl acetateKEGG COMPOUND
p-TolyacetateKEGG COMPOUND
Manual XrefsDatabases
C01963KEGG COMPOUND
HMDB0032075HMDB
Registry NumbersSources
CAS:140-39-6KEGG COMPOUND