1.0 2010-04-08 22:06:43 UTC 2025-11-18 22:59:23 UTC FDB005516 trans-1,8-Terpin Cis-p-menthane-1,8-diol, also known as terpin, titanium (+4) salt or terpin hydrate, 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. Cis-p-menthane-1,8-diol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). Cis-p-menthane-1,8-diol is a bitter tasting compound found in herbs and spices, which makes cis-p-menthane-1,8-diol a potential biomarker for the consumption of this food product. Cis-p-menthane-1,8-diol exists in all eukaryotes, ranging from yeast to humans. C10H20O2 172.2646 172.146329884 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol terpin 565-50-4 CC(C)(O)C1CCC(C)(O)CC1 InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3 RBNWAMSGVWEHFP-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 Tertiary alcohol logp 1.85 ALOGPS logs -1.32 ALOGPS solubility 8.31e+00 g/l ALOGPS logp 1.19 ChemAxon pka_strongest_acidic 18.93 ChemAxon pka_strongest_basic -0.69 ChemAxon iupac 4-(2-hydroxypropan-2-yl)-1-methylcyclohexan-1-ol ChemAxon average_mass 172.2646 ChemAxon mono_mass 172.146329884 ChemAxon smiles CC(C)(O)C1CCC(C)(O)CC1 ChemAxon formula C10H20O2 ChemAxon inchi InChI=1S/C10H20O2/c1-9(2,11)8-4-6-10(3,12)7-5-8/h8,11-12H,4-7H2,1-3H3 ChemAxon inchikey RBNWAMSGVWEHFP-UHFFFAOYSA-N ChemAxon polar_surface_area 40.46 ChemAxon refractivity 49.37 ChemAxon polarizability 20.25 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 3043 Specdb::CMs 44437 Specdb::CMs 145973 Specdb::NmrOneD 132038 Specdb::NmrOneD 132039 Specdb::NmrOneD 132040 Specdb::NmrOneD 132041 Specdb::NmrOneD 132042 Specdb::NmrOneD 132043 Specdb::NmrOneD 132044 Specdb::NmrOneD 132045 Specdb::NmrOneD 132046 Specdb::NmrOneD 132047 Specdb::NmrOneD 132048 Specdb::NmrOneD 132049 Specdb::NmrOneD 132050 Specdb::NmrOneD 132051 Specdb::NmrOneD 132052 Specdb::NmrOneD 132053 Specdb::NmrOneD 132054 Specdb::NmrOneD 132055 Specdb::NmrOneD 132056 Specdb::NmrOneD 132057 Specdb::MsMs 78234 Specdb::MsMs 78235 Specdb::MsMs 78236 Specdb::MsMs 138534 Specdb::MsMs 138535 Specdb::MsMs 138536 Specdb::MsMs 2779906 Specdb::MsMs 2779907 Specdb::MsMs 2779908 Specdb::MsMs 2925130 Specdb::MsMs 2925131 Specdb::MsMs 2925132 HMDB0035595 Fennel Type 1 specific Foeniculum vulgare 48038