1.0 2010-04-08 22:07:57 UTC 2018-05-28 23:17:07 UTC FDB008182 3-Methyl-4-phenyl-3-buten-2-one It is used as a food additive . 3-Benzylidene-2-butanone FEMA 2734 C11H12O 160.2124 160.088815006 (3Z)-3-methyl-4-phenylbut-3-en-2-one (3Z)-3-methyl-4-phenylbut-3-en-2-one 1901-26-4 CC(=O)C(\C)=C/C1=CC=CC=C1 InChI=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 derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic homomonocyclic compounds Acryloyl compounds Alpha-branched alpha,beta-unsaturated ketones Enones Hydrocarbon derivatives Ketones Organic oxides Acryloyl-group Alpha,beta-unsaturated ketone Alpha-branched alpha,beta-unsaturated-ketone Aromatic homomonocyclic compound Carbonyl group Enone Hydrocarbon derivative Ketone Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound logp 2.58 ALOGPS logs -2.82 ALOGPS solubility 2.41e-01 g/l ALOGPS logp 2.86 ChemAxon pka_strongest_acidic 19.56 ChemAxon pka_strongest_basic -4.7 ChemAxon iupac (3Z)-3-methyl-4-phenylbut-3-en-2-one ChemAxon average_mass 160.2124 ChemAxon mono_mass 160.088815006 ChemAxon smiles CC(=O)C(\C)=C/C1=CC=CC=C1 ChemAxon formula C11H12O ChemAxon inchi InChI=1S/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8- ChemAxon inchikey BQJFBHBDOAIIGS-HJWRWDBZSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 50.97 ChemAxon polarizability 17.92 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4647 Specdb::MsIr 4648 Specdb::CMs 20590 Specdb::CMs 131710 Specdb::CMs 139444 Specdb::MsMs 81735 Specdb::MsMs 81736 Specdb::MsMs 81737 Specdb::MsMs 142914 Specdb::MsMs 142915 Specdb::MsMs 142916 Specdb::MsMs 2813588 Specdb::MsMs 2813589 Specdb::MsMs 2813590 Specdb::MsMs 2891478 Specdb::MsMs 2891479 Specdb::MsMs 2891480 berry camphor fruity