1.0 2010-04-08 22:05:59 UTC 2019-11-26 02:59:39 UTC FDB003886 (E)-8(9)-p-Menthen-1,2-diol (e)-8(9)-p-menthen-1,2-diol is soluble (in water) and a very weakly acidic compound (based on its pKa). (e)-8(9)-p-menthen-1,2-diol can be found in wild celery, which makes (e)-8(9)-p-menthen-1,2-diol a potential biomarker for the consumption of this food product. C10H18O2 170.2487 170.13067982 (1R,4S)-1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol (1R,4S)-1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol CC(=C)[C@H]1CC[C@@](C)(O)C(O)C1 InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9?,10+/m0/s1 WKZWTZTZWGWEGE-DJBFQZMMSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthane monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds 1,2-diols Cyclic alcohols and derivatives Cyclohexanols Hydrocarbon derivatives Monocyclic monoterpenoids Tertiary alcohols 1,2-diol Alcohol Aliphatic homomonocyclic compound Cyclic alcohol Cyclohexanol Hydrocarbon derivative Monocyclic monoterpenoid Organic oxygen compound Organooxygen compound P-menthane monoterpenoid Secondary alcohol Tertiary alcohol logp 1.11 ALOGPS logs -1.07 ALOGPS solubility 1.46e+01 g/l ALOGPS logp 1.16 ChemAxon pka_strongest_acidic 13.73 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac (1R,4S)-1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol ChemAxon average_mass 170.2487 ChemAxon mono_mass 170.13067982 ChemAxon smiles CC(=C)[C@H]1CC[C@@](C)(O)C(O)C1 ChemAxon formula C10H18O2 ChemAxon inchi InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3/t8-,9?,10+/m0/s1 ChemAxon inchikey WKZWTZTZWGWEGE-DJBFQZMMSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 48.75 ChemAxon polarizability 19.42 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 73365 Specdb::MsMs 73366 Specdb::MsMs 73367 Specdb::MsMs 132540 Specdb::MsMs 132541 Specdb::MsMs 132542 Specdb::MsMs 3599573 Specdb::MsMs 3599574 Specdb::MsMs 3599575 Specdb::MsMs 3599576 Specdb::MsMs 3599577 Specdb::MsMs 3599578 Wild celery Type 1 specific Apium graveolens 4045