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CHEBI:52052 - phenylacetone

ChEBI IDCHEBI:52052
ChEBI Namephenylacetone
Stars
DefinitionA propanone that is propan-2-one substituted by a phenyl group at position 1.
Last Modified8 July 2025
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC9H10O
Net Charge0
Average Mass134.178
Monoisotopic Mass134.07316
SMILESCC(=O)Cc1ccccc1
InChIInChI=1S/C9H10O/c1-8(10)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3
InChIKeyQCCDLTOVEPVEJK-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
phenylacetone (CHEBI:52052) is a methyl ketone (CHEBI:51867)
phenylacetone (CHEBI:52052) is a propanones (CHEBI:26292)
IUPAC Name 
1-phenylpropan-2-one
Synonyms  Source
1-Phenyl-2-propanoneSUBMITTER
PhenylacetoneSUBMITTER
3-Phenyl-2-propanoneChemIDplus
Benzyl methyl ketoneChemIDplus
Methyl benzyl ketoneChemIDplus
Phenyl-2-propanoneChemIDplus
UniProt Name  Source
phenylacetoneUniProt
Manual XrefsDatabases
CPD-7233MetaCyc
PhenylacetoneWikipedia
C15512KEGG COMPOUND
Registry NumbersSources
Reaxys:742120Reaxys
CAS:103-79-7ChemIDplus
CAS:103-79-7NIST Chemistry WebBook
CAS:103-79-7KEGG COMPOUND
Citations