1.0 2010-04-08 22:10:20 UTC 2025-11-18 23:39:19 UTC FDB012755 1-(4-Methylphenyl)ethanol (±)-1-(4-methylphenyl)ethanol is a member of the class of compounds known as toluenes. Toluenes are compounds containing a benzene ring which bears a methane group (±)-1-(4-methylphenyl)ethanol is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). (±)-1-(4-methylphenyl)ethanol can be found in green vegetables, which makes (±)-1-(4-methylphenyl)ethanol a potential biomarker for the consumption of this food product. 1-p-Tolylethanol 4-(1-Hydroxyethyl)toluene a,4-Dimethylbenzenemethanol, 9CI a,4-Dimethylbenzyl alcohol, 8CI FEMA 3139 Methyl-p-tolylcarbinol C9H12O 136.191 136.088815006 1-(4-methylphenyl)ethan-1-ol benzenemethanol, α,4-dimethyl- 5788-09-0 CC(O)C1=CC=C(C)C=C1 InChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3 JESIHYIJKKUWIS-UHFFFAOYSA-N belongs to the class of organic compounds known as toluenes. Toluenes are compounds containing a benzene ring which bears a methane group. Toluenes Organic compounds Benzenoids Benzene and substituted derivatives Toluenes Aromatic homomonocyclic compounds Aromatic alcohols Hydrocarbon derivatives Secondary alcohols Alcohol Aromatic alcohol Aromatic homomonocyclic compound Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Toluene logp 2.06 ALOGPS logs -1.36 ALOGPS solubility 6.00e+00 g/l ALOGPS logp 2.14 ChemAxon pka_strongest_acidic 14.84 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 1-(4-methylphenyl)ethan-1-ol ChemAxon average_mass 136.191 ChemAxon mono_mass 136.088815006 ChemAxon smiles CC(O)C1=CC=C(C)C=C1 ChemAxon formula C9H12O ChemAxon inchi InChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3 ChemAxon inchikey JESIHYIJKKUWIS-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 42.33 ChemAxon polarizability 15.89 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6586 Specdb::MsIr 6587 Specdb::NmrOneD 126118 Specdb::NmrOneD 126119 Specdb::NmrOneD 126120 Specdb::NmrOneD 126121 Specdb::NmrOneD 126122 Specdb::NmrOneD 126123 Specdb::NmrOneD 126124 Specdb::NmrOneD 126125 Specdb::NmrOneD 126126 Specdb::NmrOneD 126127 Specdb::NmrOneD 126128 Specdb::NmrOneD 126129 Specdb::NmrOneD 126130 Specdb::NmrOneD 126131 Specdb::NmrOneD 126132 Specdb::NmrOneD 126133 Specdb::NmrOneD 126134 Specdb::NmrOneD 126135 Specdb::NmrOneD 126136 Specdb::NmrOneD 126137 Specdb::CMs 24206 Specdb::CMs 28410 Specdb::CMs 29790 Specdb::CMs 43847 Specdb::CMs 101611 Specdb::CMs 101612 Specdb::CMs 135029 Specdb::CMs 142763 Specdb::MsMs 70482 Specdb::MsMs 70483 Specdb::MsMs 70484 Specdb::MsMs 128994 Specdb::MsMs 128995 Specdb::MsMs 128996 Specdb::MsMs 2737331 Specdb::MsMs 2737332 Specdb::MsMs 2737333 Specdb::MsMs 2968434 Specdb::MsMs 2968435 Specdb::MsMs 2968436 HMDB0034378 Turmeric Type 1 specific Curcuma longa 136217 112.5 112.5 112.5 mg/100 g floral hawthorn nutty powdery sweet Cholagogue 800