1.0 2010-04-08 22:12:26 UTC 2019-11-26 03:13:14 UTC FDB016429 (1S,3R,4R)-p-Menthane-1,3-diol Isolated from peppermint oil. (1S,3R,4R)-p-Menthane-1,3-diol is found in herbs and spices. C10H20O2 172.2646 172.146329884 1-methyl-4-(propan-2-yl)cyclohexane-1,3-diol 4-isopropyl-1-methylcyclohexane-1,3-diol 58342-65-7 CC(C)C1CCC(C)(O)CC1O InChI=1S/C10H20O2/c1-7(2)8-4-5-10(3,12)6-9(8)11/h7-9,11-12H,4-6H2,1-3H3 IIZCEIWXLSJQFP-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 1.32 ALOGPS logs -1.18 ALOGPS solubility 1.14e+01 g/l ALOGPS melting_point Mp 165° logp 1.2 ChemAxon pka_strongest_acidic 14.61 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 1-methyl-4-(propan-2-yl)cyclohexane-1,3-diol ChemAxon average_mass 172.2646 ChemAxon mono_mass 172.146329884 ChemAxon smiles CC(C)C1CCC(C)(O)CC1O ChemAxon formula C10H20O2 ChemAxon inchi InChI=1S/C10H20O2/c1-7(2)8-4-5-10(3,12)6-9(8)11/h7-9,11-12H,4-6H2,1-3H3 ChemAxon inchikey IIZCEIWXLSJQFP-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 49.16 ChemAxon polarizability 20.32 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9998 Specdb::CMs 45359 Specdb::CMs 153031 Specdb::MsMs 101307 Specdb::MsMs 101308 Specdb::MsMs 101309 Specdb::MsMs 166905 Specdb::MsMs 166906 Specdb::MsMs 166907 Specdb::MsMs 2777384 Specdb::MsMs 2777385 Specdb::MsMs 2777386 Specdb::MsMs 2900691 Specdb::MsMs 2900692 Specdb::MsMs 2900693 Specdb::NmrOneD 140430 Specdb::NmrOneD 140431 Specdb::NmrOneD 140432 Specdb::NmrOneD 140433 Specdb::NmrOneD 140434 Specdb::NmrOneD 140435 Specdb::NmrOneD 140436 Specdb::NmrOneD 140437 Specdb::NmrOneD 140438 Specdb::NmrOneD 140439 Specdb::NmrOneD 140440 Specdb::NmrOneD 140441 Specdb::NmrOneD 140442 Specdb::NmrOneD 140443 Specdb::NmrOneD 140444 Specdb::NmrOneD 140445 Specdb::NmrOneD 140446 Specdb::NmrOneD 140447 Specdb::NmrOneD 140448 Specdb::NmrOneD 140449 HMDB37387 #<Reference:0x000055ce30c1df78> Herbs and Spices Unknown generic