1.0 2010-04-08 22:07:06 UTC 2025-11-18 23:01:40 UTC FDB006365 alpha,alpha-Dimethylbenzyl alcohol Alpha,alpha-dimethylbenzyl alcohol, also known as 2-phenyl-2-propanol or alpha-cumyl alcohol, is a member of the class of compounds known as phenylpropanes. Phenylpropanes are organic compounds containing a phenylpropane moiety. Alpha,alpha-dimethylbenzyl alcohol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Alpha,alpha-dimethylbenzyl alcohol can be found in pot marjoram, which makes alpha,alpha-dimethylbenzyl alcohol a potential biomarker for the consumption of this food product. C9H12O 136.194 136.088815006 2-phenylpropan-2-ol cumyl alcohol 617-94-7 CC(C)(O)C1=CC=CC=C1 InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3 BDCFWIDZNLCTMF-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. Phenylpropanes Organic compounds Benzenoids Benzene and substituted derivatives Phenylpropanes Aromatic homomonocyclic compounds Aromatic alcohols Hydrocarbon derivatives Tertiary alcohols Alcohol Aromatic alcohol Aromatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Phenylpropane Tertiary alcohol a small molecule logp 2.05 ALOGPS logs -1.49 ALOGPS solubility 4.46e+00 g/l ALOGPS logp 1.9 ChemAxon pka_strongest_acidic 14.6 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-phenylpropan-2-ol ChemAxon average_mass 136.194 ChemAxon mono_mass 136.088815006 ChemAxon smiles CC(C)(O)C1=CC=CC=C1 ChemAxon formula C9H12O ChemAxon inchi InChI=1S/C9H12O/c1-9(2,10)8-6-4-3-5-7-8/h3-7,10H,1-2H3 ChemAxon inchikey BDCFWIDZNLCTMF-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 41.93 ChemAxon polarizability 15.57 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 97434 Specdb::MsMs 65025 Specdb::MsMs 65026 Specdb::MsMs 65027 Specdb::MsMs 122340 Specdb::MsMs 122341 Specdb::MsMs 122342 Pot marjoram Type 1 specific Origanum onites 452416 0.01 0.01 0.01 mg/100 g