1.02010-04-08 22:07:57 UTC2018-05-28 23:17:07 UTCFDB0081823-Methyl-4-phenyl-3-buten-2-oneIt is used as a food additive .3-Benzylidene-2-butanoneFEMA 2734C11H12O160.2124160.088815006(3Z)-3-methyl-4-phenylbut-3-en-2-one(3Z)-3-methyl-4-phenylbut-3-en-2-one1901-26-4CC(=O)C(\C)=C/C1=CC=CC=C1InChI=1S/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8-BQJFBHBDOAIIGS-HJWRWDBZSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.Benzene and substituted derivativesOrganic compoundsBenzenoidsBenzene and substituted derivativesAromatic homomonocyclic compoundsAcryloyl compoundsAlpha-branched alpha,beta-unsaturated ketonesEnonesHydrocarbon derivativesKetonesOrganic oxidesAcryloyl-groupAlpha,beta-unsaturated ketoneAlpha-branched alpha,beta-unsaturated-ketoneAromatic homomonocyclic compoundCarbonyl groupEnoneHydrocarbon derivativeKetoneMonocyclic benzene moietyOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp2.58logs-2.82solubility2.41e-01 g/llogp2.86pka_strongest_acidic19.56pka_strongest_basic-4.7iupac(3Z)-3-methyl-4-phenylbut-3-en-2-oneaverage_mass160.2124mono_mass160.088815006smilesCC(=O)C(\C)=C/C1=CC=CC=C1formulaC11H12OinchiInChI=1S/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8-inchikeyBQJFBHBDOAIIGS-HJWRWDBZSA-Npolar_surface_area17.07refractivity50.97polarizability17.92rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs20590Specdb::CMs131710Specdb::CMs139444Specdb::MsIr4647Specdb::MsIr4648Specdb::MsMs81735Specdb::MsMs81736Specdb::MsMs81737Specdb::MsMs142914Specdb::MsMs142915Specdb::MsMs142916Specdb::MsMs2813588Specdb::MsMs2813589Specdb::MsMs2813590Specdb::MsMs2891478Specdb::MsMs2891479Specdb::MsMs2891480berrycamphorfruity