1.0 2016-06-03 13:05:31 UTC 2026-08-18 19:45:03 UTC α,α,α',α'-tetramethyl-m-xylene-α,α'-diol SmallMolecule α,α,α',α'-tetramethyl-m-xylene-α,α'-diol (C12H18O2) is an organic compound with an average molecular weight of 194.27 g/mol. α,α,α',α'-tetramethyl-m-xylene-α,α'-diol belongs to the phenylpropanes, a subclass of benzene and substituted derivatives within the organic compounds. It has been identified in one recorded source, specifically drinking water and water supply. The recorded exposure route for this compound is oral. C12H18O2 194.274 194.13067982 2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol 2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol 1999-85-5 CC(C)(O)C1=CC(=CC=C1)C(C)(C)O InChI=1S/C12H18O2/c1-11(2,13)9-6-5-7-10(8-9)12(3,4)14/h5-8,13-14H,1-4H3 UGPWRRVOLLMHSC-UHFFFAOYSA-N Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Phenylpropanes Aromatic alcohols Hydrocarbon derivatives Tertiary alcohols Alcohol Aromatic alcohol Aromatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Phenylpropane Tertiary alcohol Aromatic homomonocyclic compounds Detected and Not Quantified logp 1.5 logp 2.23 ALOGPS logs -2.17 ALOGPS solubility 1.32e+00 g/l ALOGPS logp 1.83 ChemAxon pka_strongest_acidic 14.27 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-[3-(2-hydroxypropan-2-yl)phenyl]propan-2-ol ChemAxon average_mass 194.274 ChemAxon mono_mass 194.13067982 ChemAxon smiles CC(C)(O)C1=CC(=CC=C1)C(C)(C)O ChemAxon formula C12H18O2 ChemAxon inchi InChI=1S/C12H18O2/c1-11(2,13)9-6-5-7-10(8-9)12(3,4)14/h5-8,13-14H,1-4H3 ChemAxon inchikey UGPWRRVOLLMHSC-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 57.8 ChemAxon polarizability 22.29 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f727f59a0a8> 74816 67383