EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:179912 - 4-Methylphenyl 3-methylbutanoate

ChEBI IDCHEBI:179912
ChEBI Name4-Methylphenyl 3-methylbutanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16O2
Net Charge0
Average Mass192.258
Monoisotopic Mass192.11503
SMILESCc1ccc(OC(=O)CC(C)C)cc1
InChIInChI=1S/C12H16O2/c1-9(2)8-12(13)14-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
InChIKeyMVDPTWHTUYDLTL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-Methylphenyl 3-methylbutanoate (CHEBI:179912) is a benzoate ester (CHEBI:36054)
4-Methylphenyl 3-methylbutanoate (CHEBI:179912) is a phenols (CHEBI:33853)
IUPAC Name 
(4-methylphenyl) 3-methylbutanoate
Manual XrefsDatabases
55929ChemSpider
HMDB0037709HMDB
Registry NumbersSources
CAS:55066-56-3ChemIDplus