1.0 2010-04-08 22:14:26 UTC 2019-11-26 03:17:37 UTC FDB019553 (1R,2R,4S)-p-Menthane-1,2,8-triol Constituent of fruit of Carum carvi (caraway). (1R,2R,4S)-p-Menthane-1,2,8-triol is found in fats and oils and herbs and spices. C10H20O3 188.264 188.141244506 4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol 4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol 103665-38-9 CC(C)(O)C1CCC(C)(O)C(O)C1 InChI=1S/C10H20O3/c1-9(2,12)7-4-5-10(3,13)8(11)6-7/h7-8,11-13H,4-6H2,1-3H3 KANCZQSRUGHECB-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 monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Cyclic alcohols and derivatives Cyclohexanols Hydrocarbon derivatives Monocyclic monoterpenoids Tertiary alcohols Alcohol Aliphatic homomonocyclic compound Cyclic alcohol Cyclohexanol Hydrocarbon derivative Monocyclic monoterpenoid Organic oxygen compound Organooxygen compound P-menthane monoterpenoid Secondary alcohol Tertiary alcohol logp 0.77 ALOGPS logs -0.58 ALOGPS solubility 4.94e+01 g/l ALOGPS melting_point Mp 134-135° logp 0.11 ChemAxon pka_strongest_acidic 13.71 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol ChemAxon average_mass 188.264 ChemAxon mono_mass 188.141244506 ChemAxon smiles CC(C)(O)C1CCC(C)(O)C(O)C1 ChemAxon formula C10H20O3 ChemAxon inchi InChI=1S/C10H20O3/c1-9(2,12)7-4-5-10(3,13)8(11)6-7/h7-8,11-13H,4-6H2,1-3H3 ChemAxon inchikey KANCZQSRUGHECB-UHFFFAOYSA-N ChemAxon polar_surface_area 60.69 ChemAxon refractivity 50.73 ChemAxon polarizability 21.1 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 3 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 24222 Specdb::CMs 46621 Specdb::CMs 174529 Specdb::MsMs 11669 Specdb::MsMs 11670 Specdb::MsMs 11671 Specdb::MsMs 18341 Specdb::MsMs 18342 Specdb::MsMs 18343 Specdb::MsMs 2744538 Specdb::MsMs 2744539 Specdb::MsMs 2744540 Specdb::MsMs 2936977 Specdb::MsMs 2936978 Specdb::MsMs 2936979 Specdb::NmrOneD 36742 Specdb::NmrOneD 36743 Specdb::NmrOneD 36744 Specdb::NmrOneD 36745 Specdb::NmrOneD 36746 Specdb::NmrOneD 36747 Specdb::NmrOneD 36748 Specdb::NmrOneD 36749 Specdb::NmrOneD 36750 Specdb::NmrOneD 36751 Specdb::NmrOneD 36752 Specdb::NmrOneD 36753 Specdb::NmrOneD 36754 Specdb::NmrOneD 36755 Specdb::NmrOneD 36756 Specdb::NmrOneD 36757 Specdb::NmrOneD 36758 Specdb::NmrOneD 36759 Specdb::NmrOneD 36760 Specdb::NmrOneD 36761 HMDB39893 #<Reference:0x000055ce32e05f28> Fats and oils Unknown generic Herbs and Spices Unknown generic