1.02010-04-08 22:04:43 UTC2015-07-20 21:34:41 UTCFDB000809(4-Methylphenyl)acetaldehydeFlavouring ingredient with bitter almond odour and flavour4-Methyl-benzeneacetaldehyde4-Methylbenzeneacetaldehyde4-Methylbenzeneacetaldehyde, 9CIAcetaldehyde, p-tolyl-Benzeneacetaldehyde, 4-methyl-FEMA 3071Methylphenylacetaldehyde, p-P-MethylphenylacetaldehydeP-tolyl-acetaldehydeP-tolylacetaldehydep-Tolylacetaldehyde, 8CIP-tolylactaldehydeC9H10O134.1751134.0731649422-(4-methylphenyl)acetaldehydebenzeneacetaldehyde, 4-methyl-104-09-6CC1=CC=C(CC=O)C=C1InChI=1S/C9H10O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,7H,6H2,1H3CIXAYNMKFFQEFU-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.PhenylacetaldehydesOrganic compoundsBenzenoidsBenzene and substituted derivativesPhenylacetaldehydesAromatic homomonocyclic compoundsAlpha-hydrogen aldehydesHydrocarbon derivativesOrganic oxidesToluenesAldehydeAlpha-hydrogen aldehydeAromatic homomonocyclic compoundCarbonyl groupHydrocarbon derivativeOrganic oxideOrganic oxygen compoundOrganooxygen compoundPhenylacetaldehydeToluenelogp2.06logs-2.53solubility3.92e-01 g/lmelting_pointMp 40°logp1.97pka_strongest_acidic15.14pka_strongest_basic-7iupac2-(4-methylphenyl)acetaldehydeaverage_mass134.1751mono_mass134.073164942smilesCC1=CC=C(CC=O)C=C1formulaC9H10OinchiInChI=1S/C9H10O/c1-8-2-4-9(5-3-8)6-7-10/h2-5,7H,6H2,1H3inchikeyCIXAYNMKFFQEFU-UHFFFAOYSA-Npolar_surface_area17.07refractivity41.48polarizability15.09rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsIr3521Specdb::MsIr3522Specdb::CMs22894Specdb::CMs155591Specdb::MsMs90855Specdb::MsMs90856Specdb::MsMs90857Specdb::MsMs154116Specdb::MsMs154117Specdb::MsMs154118Specdb::MsMs2403401Specdb::MsMs2403402Specdb::MsMs2403403Specdb::MsMs2535686Specdb::MsMs2535687Specdb::MsMs2535688HMDB29639#<Reference:0x000055567357e0d0>cortexfreshgreenlilacnarcissussweet