1.0 2010-04-08 22:11:34 UTC 2025-11-19 00:51:15 UTC FDB014958 4-Thujanol 4-thujanol, also known as sabinenehydrate, is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. 4-thujanol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). 4-thujanol is an eucalyptus, green, and minty tasting compound and can be found in a number of food items such as spearmint, cornmint, winter savory, and mandarin orange (clementine, tangerine), which makes 4-thujanol a potential biomarker for the consumption of these food products. 2-Methyl-5-(1-methylethyl)bicyclo[3.1.0]hexan-2-ol, 9CI 5-Isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol FEMA 3239 Sabina hydrate Sabinene hydrate C10H18O 154.2493 154.135765198 2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-ol sabinene hydrate 546-79-2 CC(C)C12CC1C(C)(O)CC2 InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3 KXSDPILWMGFJMM-UHFFFAOYSA-N belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Bicyclic monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Tertiary alcohols Alcohol Aliphatic homopolycyclic compound Bicyclic monoterpenoid Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Tertiary alcohol Thujane monoterpenoid a small molecule p-menthane monoterpenoid logp 2.12 ALOGPS logs -2.28 ALOGPS solubility 8.10e-01 g/l ALOGPS logp 1.89 ChemAxon pka_strongest_acidic 19.13 ChemAxon pka_strongest_basic -0.99 ChemAxon iupac 2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-ol ChemAxon average_mass 154.2493 ChemAxon mono_mass 154.135765198 ChemAxon smiles CC(C)C12CC1C(C)(O)CC2 ChemAxon formula C10H18O ChemAxon inchi InChI=1S/C10H18O/c1-7(2)10-5-4-9(3,11)8(10)6-10/h7-8,11H,4-6H2,1-3H3 ChemAxon inchikey KXSDPILWMGFJMM-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 45.55 ChemAxon polarizability 18.66 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 69195 Specdb::MsMs 69196 Specdb::MsMs 69197 Specdb::MsMs 127419 Specdb::MsMs 127420 Specdb::MsMs 127421 Specdb::MsMs 3605770 Specdb::MsMs 3605771 Specdb::MsMs 3605772 Specdb::MsMs 3605773 Specdb::MsMs 3605774 Specdb::MsMs 3605775 Cornmint Type 1 specific Mentha arvensis 292239 9.5 9.5 9.5 mg/100 g Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 1.05 1.05 1.05 mg/100 g Peppermint Type 1 specific Mentha X piperita 34256 5.75 5.75 5.75 mg/100 g Spearmint Type 1 specific Mentha spicata 29719 15.2 15.2 15.2 mg/100 g Winter savory Type 1 specific Satureja montana 49988 eucalyptus green minty terpene