1.0 2010-04-08 22:12:18 UTC 2019-11-26 03:12:53 UTC FDB016222 trans-beta-Terpineol Terpineol is a naturally occurring monoterpene alcohol that has been isolated from a variety of sources such as cajuput oil, pine oil, and petitgrain oil. There are three isomers, alpha-, beta-, and gamma-terpineol, the last two differing only by the location of the double bond. Terpineol is usually a mixture of these isomers with alpha-terpineol as the major constituent. trans-beta-Terpineol is found in rosemary. (E)-beta-Terpineol 1-Methyl-4-(1-methylethenyl)-trans-cyclohexanol Cyclohexanol, 1-methyl-4-(1-methylethenyl)-, trans- p-Menth-8-en-1-ol; trans-form trans-beta-Terpineol trans-P-Menth-8-en-1-ol C10H18O 154.2493 154.135765198 (1s,4s)-1-methyl-4-(prop-1-en-2-yl)cyclohexan-1-ol (1s,4s)-1-methyl-4-(prop-1-en-2-yl)cyclohexan-1-ol 7299-40-3 CC(=C)[C@H]1CC[C@@](C)(O)CC1 InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3/t9-,10+ RUJPNZNXGCHGID-AOOOYVTPSA-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 2.73 ALOGPS logs -2.19 ALOGPS solubility 9.90e-01 g/l ALOGPS melting_point Mp 32-33° logp 2.23 ChemAxon pka_strongest_acidic 19 ChemAxon pka_strongest_basic -1 ChemAxon iupac (1s,4s)-1-methyl-4-(prop-1-en-2-yl)cyclohexan-1-ol ChemAxon average_mass 154.2493 ChemAxon mono_mass 154.135765198 ChemAxon smiles CC(=C)[C@H]1CC[C@@](C)(O)CC1 ChemAxon formula C10H18O ChemAxon inchi InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h9,11H,1,4-7H2,2-3H3/t9-,10+ ChemAxon inchikey RUJPNZNXGCHGID-AOOOYVTPSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 47.39 ChemAxon polarizability 18.6 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7470 Specdb::MsIr 7471 Specdb::MsIr 7472 Specdb::CMs 24296 Specdb::CMs 45269 Specdb::CMs 135627 Specdb::CMs 143361 Specdb::MsMs 87411 Specdb::MsMs 87412 Specdb::MsMs 87413 Specdb::MsMs 149913 Specdb::MsMs 149914 Specdb::MsMs 149915 Specdb::MsMs 2740957 Specdb::MsMs 2740958 Specdb::MsMs 2740959 Specdb::MsMs 2938164 Specdb::MsMs 2938165 Specdb::MsMs 2938166 HMDB37215 #<Reference:0x000055ce31be99c0> Rosemary Type 1 specific Rosmarinus officinalis 39367 2.05 2.05 2.05 mg/100 g