1.0 2010-04-08 22:13:34 UTC 2015-07-21 06:26:12 UTC FDB018214 3-Phenyl-4-pentenal Flavouring ingredient 3-Phenyl-3-vinylpropionaldehyde 3-Phenylpent-4-enal Benzenepropanal, beta-ethenyl- beta-Ethenyl-benzenepropanal Beta-ethenylbenzenepropanal beta-Vinyl-hydrocinnamaldehyde Beta-vinylhydrocinnamaldehyde FEMA 3318 Hydrocinnamaldehyde, beta-vinyl- C11H12O 160.2124 160.088815006 3-phenylpent-4-enal 3-phenylpent-4-enal 939-21-9 C=CC(CC=O)C1=CC=CC=C1 InChI=1S/C11H12O/c1-2-10(8-9-12)11-6-4-3-5-7-11/h2-7,9-10H,1,8H2 XQTAGXUFCZLHIQ-UHFFFAOYSA-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 Alpha-hydrogen aldehydes Hydrocarbon derivatives Organic oxides Aldehyde Alpha-hydrogen aldehyde Aromatic homomonocyclic compound Carbonyl group Hydrocarbon derivative Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound logp 2.62 ALOGPS logs -3.62 ALOGPS solubility 3.87e-02 g/l ALOGPS logp 2.32 ChemAxon pka_strongest_acidic 15.84 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3-phenylpent-4-enal ChemAxon average_mass 160.2124 ChemAxon mono_mass 160.088815006 ChemAxon smiles C=CC(CC=O)C1=CC=CC=C1 ChemAxon formula C11H12O ChemAxon inchi InChI=1S/C11H12O/c1-2-10(8-9-12)11-6-4-3-5-7-11/h2-7,9-10H,1,8H2 ChemAxon inchikey XQTAGXUFCZLHIQ-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 50.23 ChemAxon polarizability 18.06 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8029 Specdb::MsIr 8030 Specdb::CMs 20753 Specdb::CMs 130519 Specdb::CMs 138253 Specdb::MsMs 77991 Specdb::MsMs 77992 Specdb::MsMs 77993 Specdb::MsMs 138240 Specdb::MsMs 138241 Specdb::MsMs 138242 Specdb::MsMs 2466686 Specdb::MsMs 2466687 Specdb::MsMs 2466688 Specdb::MsMs 2496326 Specdb::MsMs 2496327 Specdb::MsMs 2496328 HMDB38790 #<Reference:0x000055ce31cd5de8>