1.0 2010-04-08 22:05:33 UTC 2015-07-20 21:49:00 UTC FDB002870 1-(4-Methoxyphenyl)-1-penten-3-one Flavouring ingredient 1-(4-Methoxyphenyl)-1-penten-3-one 1-(P-Methoxyphenyl)-1-penten-3-one 1-Penten-3-one, 1-(4-methoxyphenyl)- 1-Penten-3-one, 1-(p-methoxyphenyl)- Ethone Ethyl p-methoxystyryl ketone FEMA 2673 C12H14O2 190.2384 190.099379692 (1E)-1-(4-methoxyphenyl)pent-1-en-3-one (1E)-1-(4-methoxyphenyl)pent-1-en-3-one 104-27-8 CCC(=O)\C=C\C1=CC=C(OC)C=C1 InChI=1S/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3/b7-4+ SLDQOBRACOQXGE-QPJJXVBHSA-N belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof. Anisoles Organic compounds Benzenoids Phenol ethers Anisoles Aromatic homomonocyclic compounds Acryloyl compounds Alkyl aryl ethers Enones Hydrocarbon derivatives Ketones Methoxybenzenes Organic oxides Phenoxy compounds Styrenes Acryloyl-group Alkyl aryl ether Alpha,beta-unsaturated ketone Anisole Aromatic homomonocyclic compound Carbonyl group Enone Ether Hydrocarbon derivative Ketone Methoxybenzene Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Phenoxy compound Styrene Solid logp 2.72 ALOGPS logs -3.39 ALOGPS solubility 7.74e-02 g/l ALOGPS melting_point Mp 61.3-61.9° logp 3.01 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac (1E)-1-(4-methoxyphenyl)pent-1-en-3-one ChemAxon average_mass 190.2384 ChemAxon mono_mass 190.099379692 ChemAxon smiles CCC(=O)\C=C\C1=CC=C(OC)C=C1 ChemAxon formula C12H14O2 ChemAxon inchi InChI=1S/C12H14O2/c1-3-11(13)7-4-10-5-8-12(14-2)9-6-10/h4-9H,3H2,1-2H3/b7-4+ ChemAxon inchikey SLDQOBRACOQXGE-QPJJXVBHSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 57.7 ChemAxon polarizability 21.59 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4012 Specdb::MsIr 4013 Specdb::CMs 11342 Specdb::CMs 29190 Specdb::CMs 100568 Specdb::CMs 166768 Specdb::MsMs 291040 Specdb::MsMs 291041 Specdb::MsMs 291042 Specdb::MsMs 330847 Specdb::MsMs 330848 Specdb::MsMs 330849 Specdb::MsMs 2288088 Specdb::MsMs 2288089 Specdb::MsMs 2288090 Specdb::MsMs 2646963 Specdb::MsMs 2646964 Specdb::MsMs 2646965 HMDB30905 #<Reference:0x000055ac40743b90> almond anisic cherry dry fruity heliotrope powdery sweet vanilla