1.02010-04-08 22:08:57 UTC2018-05-28 23:26:45 UTCFDB0100752-Phenylpropionaldehyde dimethyl acetalIt is used as a food additive .C11H16O2180.2435180.115029756(1,1-dimethoxypropan-2-yl)benzene(1,1-dimethoxypropan-2-yl)benzene90-87-9COC(OC)C(C)C1=CC=CC=C1InChI=1S/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3UFOUDYPOSJJEDJ-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 derivativesOrganic compoundsBenzenoidsBenzene and substituted derivativesAromatic homomonocyclic compoundsAcetalsHydrocarbon derivativesAcetalAromatic homomonocyclic compoundHydrocarbon derivativeMonocyclic benzene moietyOrganic oxygen compoundOrganooxygen compoundlogp2.30logs-3.07solubility1.55e-01 g/llogp2.67pka_strongest_basic-4iupac(1,1-dimethoxypropan-2-yl)benzeneaverage_mass180.2435mono_mass180.115029756smilesCOC(OC)C(C)C1=CC=CC=C1formulaC11H16O2inchiInChI=1S/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3inchikeyUFOUDYPOSJJEDJ-UHFFFAOYSA-Npolar_surface_area18.46refractivity52.69polarizability20.54rotatable_bond_count4acceptor_count2donor_count0physiological_charge0formal_charge0Specdb::MsIr5468Specdb::MsIr5469Specdb::CMs22208Specdb::CMs29214Specdb::CMs101149Specdb::CMs175401Specdb::MsMs50331Specdb::MsMs50332Specdb::MsMs50333Specdb::MsMs172431Specdb::MsMs172432Specdb::MsMs172433Specdb::MsMs2670369Specdb::MsMs2670370Specdb::MsMs2670371Specdb::MsMs3008404Specdb::MsMs3008405Specdb::MsMs3008406earthyfloralgreenhyacinthleafymushroomwalnut