1.0 2010-04-08 22:04:43 UTC 2015-07-20 21:34:41 UTC FDB000809 (4-Methylphenyl)acetaldehyde Flavouring ingredient with bitter almond odour and flavour 4-Methyl-benzeneacetaldehyde 4-Methylbenzeneacetaldehyde 4-Methylbenzeneacetaldehyde, 9CI Acetaldehyde, p-tolyl- Benzeneacetaldehyde, 4-methyl- FEMA 3071 Methylphenylacetaldehyde, p- P-Methylphenylacetaldehyde P-tolyl-acetaldehyde P-tolylacetaldehyde p-Tolylacetaldehyde, 8CI P-tolylactaldehyde C9H10O 134.1751 134.073164942 2-(4-methylphenyl)acetaldehyde benzeneacetaldehyde, 4-methyl- 104-09-6 CC1=CC=C(CC=O)C=C1 InChI=1S/C9H10O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,7H,6H2,1H3 CIXAYNMKFFQEFU-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 Alpha-hydrogen aldehydes Hydrocarbon derivatives Organic oxides Toluenes Aldehyde Alpha-hydrogen aldehyde Aromatic homomonocyclic compound Carbonyl group Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Phenylacetaldehyde Toluene logp 2.06 ALOGPS logs -2.53 ALOGPS solubility 3.92e-01 g/l ALOGPS melting_point Mp 40° logp 1.97 ChemAxon pka_strongest_acidic 15.14 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-(4-methylphenyl)acetaldehyde ChemAxon average_mass 134.1751 ChemAxon mono_mass 134.073164942 ChemAxon smiles CC1=CC=C(CC=O)C=C1 ChemAxon formula C9H10O ChemAxon inchi InChI=1S/C9H10O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,7H,6H2,1H3 ChemAxon inchikey CIXAYNMKFFQEFU-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 41.48 ChemAxon polarizability 15.09 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 3521 Specdb::MsIr 3522 Specdb::CMs 22894 Specdb::CMs 155591 Specdb::MsMs 90855 Specdb::MsMs 90856 Specdb::MsMs 90857 Specdb::MsMs 154116 Specdb::MsMs 154117 Specdb::MsMs 154118 Specdb::MsMs 2403401 Specdb::MsMs 2403402 Specdb::MsMs 2403403 Specdb::MsMs 2535686 Specdb::MsMs 2535687 Specdb::MsMs 2535688 HMDB29639 #<Reference:0x000055ce30cbe900> cortex fresh green lilac narcissus sweet