CHEBI:217301 - benzylideneacetone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name benzylideneacetone
ChEBI ID CHEBI:217301
Definition An enone in which a phenyl ring is attached to the β-carbon atom of but-3-en-2-one. Although both cis- and trans-isomers are possible for the α,β-unsaturated ketone, only the trans-isomer is observed.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Wikipedia License
Waiting for wikipedia content
Read full article at Wikipedia
Formula C10H10O
Net Charge 0
Average Mass 146.18580
Monoisotopic Mass 146.073
InChI InChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3
InChIKey BWHOZHOGCMHOBV-UHFFFAOYSA-N
SMILES CC(=O)C=Cc1ccccc1
ChEBI Ontology
Outgoing benzylideneacetone (CHEBI:217301) is a enone (CHEBI:51689)
benzylideneacetone (CHEBI:217301) is a monoterpenoid (CHEBI:25409)
Incoming cis-benzylideneacetone (CHEBI:78400) is a benzylideneacetone (CHEBI:217301)
trans-benzylideneacetone (CHEBI:78399) is a benzylideneacetone (CHEBI:217301)
IUPAC Name
4-phenylbut-3-en-2-one
Synonyms Sources
2-Phenylvinyl methyl ketone ChemIDplus
4-Phenyl-3-buten-2-one ChemIDplus
Acetocinnamone ChemIDplus
BENZ ChEBI
Benzalaceton ChemIDplus
Benzalacetone ChemIDplus
Benzilidene acetone ChemIDplus
Benzilideneacetone ChemIDplus
Benzylidene acetone ChemIDplus
Methyl 2-phenylvinyl ketone ChemIDplus
Methyl β-styryl ketone ChEBI
Methyl styryl ketone ChemIDplus
Styryl methyl ketone ChemIDplus
Database Link Database
Benzylideneacetone Wikipedia
View more database links
Registry Numbers Types Sources
122-57-6 CAS Registry Number ChemIDplus
742046 Beilstein Registry Number Beilstein
742046 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
15476972 PubMed citation Europe PMC
18330113 PubMed citation Europe PMC
21112333 PubMed citation Europe PMC
25441446 PubMed citation Europe PMC
3918942 PubMed citation Europe PMC
Last Modified
28 January 2016