1.02011-09-26 22:55:24 UTC2015-07-21 07:00:42 UTCFDB029731styrene glycol (1-phenyl 1,2-ethanediol)Flavouring compound [Flavornet]C8H10O2138.166138.068079562(1S)-1-phenylethane-1,2-diol(1S)-1-phenylethane-1,2-diol25779-13-9[H][C@@](O)(CO)C1=CC=CC=C1InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-/m1/s1PWMWNFMRSKOCEY-MRVPVSSYSA-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 compounds1,2-diolsAromatic alcoholsHydrocarbon derivativesPrimary alcoholsSecondary alcohols1,2-diolAlcoholAromatic alcoholAromatic homomonocyclic compoundHydrocarbon derivativeMonocyclic benzene moietyOrganic oxygen compoundOrganooxygen compoundPrimary alcoholSecondary alcohollogp0.46logs-0.32solubility6.60e+01 g/llogp0.58pka_strongest_acidic13.65pka_strongest_basic-3iupac(1S)-1-phenylethane-1,2-diolaverage_mass138.166mono_mass138.068079562smiles[H][C@@](O)(CO)C1=CC=CC=C1formulaC8H10O2inchiInChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8-10H,6H2/t8-/m1/s1inchikeyPWMWNFMRSKOCEY-MRVPVSSYSA-Npolar_surface_area40.46refractivity38.84polarizability14.56rotatable_bond_count2acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::MsMs1298551Specdb::MsMs1298552Specdb::MsMs1298553Specdb::MsMs1413163Specdb::MsMs1413164Specdb::MsMs1413165Specdb::MsMs3607315Specdb::MsMs3607316Specdb::MsMs3607317Specdb::MsMs3607318Specdb::MsMs3607319Specdb::MsMs3607320sweet