1.02010-04-08 22:10:20 UTC2019-11-26 03:07:32 UTCFDB0127551-(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-Tolylethanol4-(1-Hydroxyethyl)toluenea,4-Dimethylbenzenemethanol, 9CIa,4-Dimethylbenzyl alcohol, 8CIFEMA 3139Methyl-p-tolylcarbinolC9H12O136.191136.0888150061-(4-methylphenyl)ethan-1-olbenzenemethanol, α,4-dimethyl-5788-09-0CC(O)C1=CC=C(C)C=C1InChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3JESIHYIJKKUWIS-UHFFFAOYSA-N belongs to the class of organic compounds known as toluenes. Toluenes are compounds containing a benzene ring which bears a methane group.ToluenesOrganic compoundsBenzenoidsBenzene and substituted derivativesToluenesAromatic homomonocyclic compoundsAromatic alcoholsHydrocarbon derivativesSecondary alcoholsAlcoholAromatic alcoholAromatic homomonocyclic compoundHydrocarbon derivativeOrganic oxygen compoundOrganooxygen compoundSecondary alcoholToluenelogp2.06logs-1.36solubility6.00e+00 g/llogp2.14pka_strongest_acidic14.84pka_strongest_basic-2.9iupac1-(4-methylphenyl)ethan-1-olaverage_mass136.191mono_mass136.088815006smilesCC(O)C1=CC=C(C)C=C1formulaC9H12OinchiInChI=1S/C9H12O/c1-7-3-5-9(6-4-7)8(2)10/h3-6,8,10H,1-2H3inchikeyJESIHYIJKKUWIS-UHFFFAOYSA-Npolar_surface_area20.23refractivity42.33polarizability15.89rotatable_bond_count1acceptor_count1donor_count1physiological_charge0formal_charge0Specdb::MsIr6586Specdb::MsIr6587Specdb::NmrOneD126118Specdb::NmrOneD126119Specdb::NmrOneD126120Specdb::NmrOneD126121Specdb::NmrOneD126122Specdb::NmrOneD126123Specdb::NmrOneD126124Specdb::NmrOneD126125Specdb::NmrOneD126126Specdb::NmrOneD126127Specdb::NmrOneD126128Specdb::NmrOneD126129Specdb::NmrOneD126130Specdb::NmrOneD126131Specdb::NmrOneD126132Specdb::NmrOneD126133Specdb::NmrOneD126134Specdb::NmrOneD126135Specdb::NmrOneD126136Specdb::NmrOneD126137Specdb::CMs24206Specdb::CMs28410Specdb::CMs29790Specdb::CMs43847Specdb::CMs101611Specdb::CMs101612Specdb::CMs135029Specdb::CMs142763Specdb::MsMs70482Specdb::MsMs70483Specdb::MsMs70484Specdb::MsMs128994Specdb::MsMs128995Specdb::MsMs128996Specdb::MsMs2737331Specdb::MsMs2737332Specdb::MsMs2737333Specdb::MsMs2968434Specdb::MsMs2968435Specdb::MsMs2968436TurmericType 1specificCurcuma longa136217112.5112.5112.5mg/100 gfloralhawthornnuttypowderysweetcholagogue800