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CHEBI:217301 - benzylideneacetone

ChEBI IDCHEBI:217301
ChEBI Namebenzylideneacetone
Stars
DefinitionAn 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.
Last Modified28 January 2016
DownloadsMolfile
FormulaC10H10O
Net Charge0
Average Mass146.189
Monoisotopic Mass146.07316
SMILES[H]C(=Cc1ccccc1)C(C)=O
InChIInChI=1S/C10H10O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyBWHOZHOGCMHOBV-UHFFFAOYSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
benzylideneacetone (CHEBI:217301) is a enone (CHEBI:51689)
benzylideneacetone (CHEBI:217301) is a monoterpenoid (CHEBI:25409)
Incoming Relation(s)
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  Source
Benzylidene acetoneChemIDplus
BENZChEBI
2-Phenylvinyl methyl ketoneChemIDplus
AcetocinnamoneChemIDplus
BenzalacetonChemIDplus
BenzalacetoneChemIDplus
Manual XrefsDatabases
BenzylideneacetoneWikipedia
Registry NumbersSources
Reaxys:742046Reaxys
CAS:122-57-6ChemIDplus
Citations