1.02010-04-08 22:06:02 UTC2019-11-26 02:59:42 UTCFDB003970p-Mentha-8(9)-en-1,2-diolP-mentha-8(9)-en-1,2-diol, also known as 1-methyl-4-(1-methylethenyl)-1,2-cyclohexanediol, 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. P-mentha-8(9)-en-1,2-diol is soluble (in water) and a very weakly acidic compound (based on its pKa). P-mentha-8(9)-en-1,2-diol can be found in wild celery, which makes P-mentha-8(9)-en-1,2-diol a potential biomarker for the consumption of this food product. C10H18O2170.2487170.130679821-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diollimonene-1,2-diol1946-00-5CC(=C)C1CCC(C)(O)C(O)C1InChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3WKZWTZTZWGWEGE-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-diolsCyclic alcohols and derivativesCyclohexanolsHydrocarbon derivativesMonocyclic monoterpenoidsTertiary alcohols1,2-diolAlcoholAliphatic homomonocyclic compoundCyclic alcoholCyclohexanolHydrocarbon derivativeMonocyclic monoterpenoidOrganic oxygen compoundOrganooxygen compoundP-menthane monoterpenoidSecondary alcoholTertiary alcohola limonene-1,2-diollimonene monoterpenoidlogp1.11logs-1.07solubility1.46e+01 g/llogp1.16pka_strongest_acidic13.73pka_strongest_basic-3.2iupac1-methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diolaverage_mass170.2487mono_mass170.13067982smilesCC(=C)C1CCC(C)(O)C(O)C1formulaC10H18O2inchiInChI=1S/C10H18O2/c1-7(2)8-4-5-10(3,12)9(11)6-8/h8-9,11-12H,1,4-6H2,2-3H3inchikeyWKZWTZTZWGWEGE-UHFFFAOYSA-Npolar_surface_area40.46refractivity48.75polarizability19.66rotatable_bond_count1acceptor_count2donor_count2physiological_charge0formal_charge0Specdb::CMs106553Specdb::CMs118779Specdb::CMs953829Specdb::CMs953830Specdb::CMs953831Specdb::CMs953832Specdb::CMs953833Specdb::CMs953834Specdb::NmrOneD229815Specdb::NmrOneD229816Specdb::NmrOneD229817Specdb::NmrOneD229818Specdb::NmrOneD229819Specdb::NmrOneD229820Specdb::NmrOneD229821Specdb::NmrOneD229822Specdb::NmrOneD229823Specdb::NmrOneD229824Specdb::NmrOneD229825Specdb::NmrOneD229826Specdb::NmrOneD229827Specdb::NmrOneD229828Specdb::NmrOneD229829Specdb::NmrOneD229830Specdb::NmrOneD229831Specdb::NmrOneD229832Specdb::NmrOneD229833Specdb::NmrOneD229834Specdb::MsMs57564Specdb::MsMs57565Specdb::MsMs57566Specdb::MsMs113274Specdb::MsMs113275Specdb::MsMs113276Wild celeryType 1specificApium graveolens4045