1.0 2010-04-08 22:08:57 UTC 2025-11-18 23:18:26 UTC FDB010075 2-Phenylpropionaldehyde dimethyl acetal It is used as a food additive . C11H16O2 180.2435 180.115029756 (1,1-dimethoxypropan-2-yl)benzene (1,1-dimethoxypropan-2-yl)benzene 90-87-9 COC(OC)C(C)C1=CC=CC=C1 InChI=1S/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3 UFOUDYPOSJJEDJ-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 Acetals Hydrocarbon derivatives Acetal Aromatic homomonocyclic compound Hydrocarbon derivative Monocyclic benzene moiety Organic oxygen compound Organooxygen compound logp 2.30 ALOGPS logs -3.07 ALOGPS solubility 1.55e-01 g/l ALOGPS logp 2.67 ChemAxon pka_strongest_basic -4 ChemAxon iupac (1,1-dimethoxypropan-2-yl)benzene ChemAxon average_mass 180.2435 ChemAxon mono_mass 180.115029756 ChemAxon smiles COC(OC)C(C)C1=CC=CC=C1 ChemAxon formula C11H16O2 ChemAxon inchi InChI=1S/C11H16O2/c1-9(11(12-2)13-3)10-7-5-4-6-8-10/h4-9,11H,1-3H3 ChemAxon inchikey UFOUDYPOSJJEDJ-UHFFFAOYSA-N ChemAxon polar_surface_area 18.46 ChemAxon refractivity 52.69 ChemAxon polarizability 20.54 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22208 Specdb::CMs 29214 Specdb::CMs 101149 Specdb::CMs 175401 Specdb::MsMs 50331 Specdb::MsMs 50332 Specdb::MsMs 50333 Specdb::MsMs 172431 Specdb::MsMs 172432 Specdb::MsMs 172433 Specdb::MsMs 2670369 Specdb::MsMs 2670370 Specdb::MsMs 2670371 Specdb::MsMs 3008404 Specdb::MsMs 3008405 Specdb::MsMs 3008406 Specdb::MsIr 5468 Specdb::MsIr 5469 HMDB0032468 earthy floral green hyacinth leafy mushroom walnut