1.0 2010-04-08 22:04:58 UTC 2025-11-18 22:31:21 UTC FDB001454 (+)-trans-Sabinene hydrate Trans-Sabinene hydrate, also known as trans-4-thujanol, belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other. Monoterpenoids are terpenes that contain 10 carbon atoms and are comprised of two isoprene units. The biosynthesis of monoterpenes is known to occur mainly through the methyl-erythritol-phosphate (MEP) pathway in plant cell plastids (PMID: 7640522). Geranyl diphosphate (GPP) is a key intermediate in the biosynthesis of cyclic monoterpenes. GPP undergoes several cyclization reactions to yield a diverse number of cyclic arrangements. Trans-Sabinene hydrate is a neutral, hydrophobic molecule that is practically insoluble in water. It has a woody, balsamic odor. It occurs naturally in a wide number of plants and plant oils including lemon, lime, grapefruit, blood orange, mandarin orange, orange peel, rosemary, nutmeg, pot marjoram, common oregano, and mentha (mint), which makes (+)-trans-sabinene hydrate a potential biomarker for the consumption of these food products. (E)-Sabinene hydrate Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, (1S,2S,5R)- Bicyclo[3.1.0]hexan-2-ol, 2-methyl-5-(1-methylethyl)-, [1S-(1a,2a,5a)]- Sabinene hydrate trans trans-Sabinene hydrate C10H18O 154.2493 154.135765198 (1S,2S,5R)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-ol (1S,2S,5R)-5-isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol 7712-82-5 CC(C)[C@@]12C[C@@H]1[C@@](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/t8-,9+,10-/m1/s1 KXSDPILWMGFJMM-KXUCPTDWSA-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 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 (1S,2S,5R)-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)[C@@]12C[C@@H]1[C@@](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/t8-,9+,10-/m1/s1 ChemAxon inchikey KXSDPILWMGFJMM-KXUCPTDWSA-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::CMs 102949 Specdb::MsMs 96597 Specdb::MsMs 96598 Specdb::MsMs 96599 Specdb::MsMs 161115 Specdb::MsMs 161116 Specdb::MsMs 161117 Specdb::MsMs 3597415 Specdb::MsMs 3597416 Specdb::MsMs 3597417 Specdb::MsMs 3597418 Specdb::MsMs 3597419 Specdb::MsMs 3597420 Cardamom Type 1 specific Elettaria cardamomum 105181 168.75 168.75 168.75 mg/100 g Common oregano Type 1 specific Origanum vulgare 39352 0.25 0.25 0.25 mg/100 g Common sage Type 1 specific Salvia officinalis 38868 3.3 3.3 3.3 mg/100 g Common thyme Type 1 specific Thymus vulgaris 49992 Cumin Type 1 specific Cuminum cyminum 52462 8.7 8.7 8.7 mg/100 g Hyssop Type 1 specific Hyssopus officinalis 39324 1.2 2.05 0.35 mg/100 g Mandarin orange (Clementine, Tangerine) Type 1 specific Citrus reticulata 85571 Mentha Type 1 specific Mentha 21819 Nutmeg Type 1 specific Myristica fragrans 51089 27.0 27.0 27.0 mg/100 g Pepper (Spice) Type 1 specific Piper nigrum 13216 Pot marjoram Type 1 specific Origanum onites 452416 0.0 0.0 0.0 mg/100 g Rosemary Type 1 specific Rosmarinus officinalis 39367 1.9 1.9 1.9 mg/100 g Spearmint Type 1 specific Mentha spicata 29719 4.05 4.05 4.05 mg/100 g Sweet basil Type 1 specific Ocimum basilicum 39350 Sweet bay Type 1 specific Laurus nobilis 85223 Sweet marjoram Type 1 specific Origanum majorana 268884 10.1 10.1 10.1 mg/100 g Sweet orange Type 1 specific Citrus sinensis 2711