1.02010-04-08 22:06:23 UTC2019-11-26 03:00:13 UTCFDB0047731-p-Menthene-8,9-diol1-p-menthene-8,9-diol is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids 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. 1-p-menthene-8,9-diol is soluble (in water) and a very weakly acidic compound (based on its pKa). 1-p-menthene-8,9-diol can be found in caraway, which makes 1-p-menthene-8,9-diol a potential biomarker for the consumption of this food product. C10H18O2170.252170.130679822-(4-methylcyclohex-3-en-1-yl)propane-1,2-diol2-(4-methylcyclohex-3-en-1-yl)propane-1,2-diolCC1=CCC(CC1)C(C)(O)COInChI=1S/C10H18O2/c1-8-3-5-9(6-4-8)10(2,12)7-11/h3,9,11-12H,4-7H2,1-2H3ZJALAEQNHJQSTN-UHFFFAOYSA-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 monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAliphatic homomonocyclic compounds1,2-diolsHydrocarbon derivativesMonocyclic monoterpenoidsPrimary alcoholsTertiary alcohols1,2-diolAlcoholAliphatic homomonocyclic compoundHydrocarbon derivativeMonocyclic monoterpenoidOrganic oxygen compoundOrganooxygen compoundP-menthane monoterpenoidPrimary alcoholTertiary alcohollogp1.54logs-1.01solubility1.68e+01 g/llogp1.13pka_strongest_acidic13.87pka_strongest_basic-3.1iupac2-(4-methylcyclohex-3-en-1-yl)propane-1,2-diolaverage_mass170.252mono_mass170.13067982smilesCC1=CCC(CC1)C(C)(O)COformulaC10H18O2inchiInChI=1S/C10H18O2/c1-8-3-5-9(6-4-8)10(2,12)7-11/h3,9,11-12H,4-7H2,1-2H3inchikeyZJALAEQNHJQSTN-UHFFFAOYSA-Npolar_surface_area40.46refractivity50.01polarizability20.03rotatable_bond_count2acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::CMs5781Specdb::MsMs100368Specdb::MsMs100369Specdb::MsMs100370Specdb::MsMs165678Specdb::MsMs165679Specdb::MsMs165680CarawayType 1specificCarum carvi48032