1.0 2010-04-08 22:08:57 UTC 2025-11-18 23:18:25 UTC FDB010073 (+/-)-2-Phenyl-4-methyl-2-hexenal It is used as a food additive . C13H16O 188.27 188.120115135 4-methyl-2-phenylhex-2-enal 4-methyl-2-phenylhex-2-enal 26643-92-5 CCC(C)C=C(C=O)C1=CC=CC=C1 InChI=1S/C13H16O/c1-3-11(2)9-13(10-14)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3 IOIWDGZFMUCYJR-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylacetaldehydes. Phenylacetaldehydes are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde. Phenylacetaldehydes Organic compounds Benzenoids Benzene and substituted derivatives Phenylacetaldehydes Aromatic homomonocyclic compounds Aldehydes Enals Hydrocarbon derivatives Organic oxides Styrenes Aldehyde Alpha,beta-unsaturated aldehyde Aromatic homomonocyclic compound Carbonyl group Enal Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Phenylacetaldehyde Styrene logp 3.73 ALOGPS logs -3.90 ALOGPS solubility 2.39e-02 g/l ALOGPS logp 3.61 ChemAxon pka_strongest_basic -4.5 ChemAxon iupac 4-methyl-2-phenylhex-2-enal ChemAxon average_mass 188.27 ChemAxon mono_mass 188.120115135 ChemAxon smiles CCC(C)C=C(C=O)C1=CC=CC=C1 ChemAxon formula C13H16O ChemAxon inchi InChI=1S/C13H16O/c1-3-11(2)9-13(10-14)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3 ChemAxon inchikey IOIWDGZFMUCYJR-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 60.24 ChemAxon polarizability 22.29 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 83544 Specdb::MsMs 83545 Specdb::MsMs 83546 Specdb::MsMs 145167 Specdb::MsMs 145168 Specdb::MsMs 145169 Specdb::MsMs 3605086 Specdb::MsMs 3605087 Specdb::MsMs 3605088 Specdb::MsMs 3605089 Specdb::MsMs 3605090 Specdb::MsMs 3605091