1.0 2010-04-08 22:11:34 UTC 2019-11-26 03:11:02 UTC FDB014959 (1R,4S,5R)-4-Thujanol Constituent of the essential oil of American peppermint and other Mentha subspecies Flavouring agent. (1R,4S,5R)-4-Thujanol is found in herbs and spices. (1R,4S,5R)-Form Sabinene hydrate; (1R,4S,5R)-form C10H18O 154.2493 154.135765198 (1R,2S,5R)-2-methyl-5-(propan-2-yl)bicyclo[3.1.0]hexan-2-ol (1R,2S,5R)-5-isopropyl-2-methylbicyclo[3.1.0]hexan-2-ol 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?/m0/s1 KXSDPILWMGFJMM-XMCUXHSSSA-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 melting_point Mp 61° logp 1.89 ChemAxon pka_strongest_acidic 19.13 ChemAxon pka_strongest_basic -0.99 ChemAxon iupac (1R,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?/m0/s1 ChemAxon inchikey KXSDPILWMGFJMM-XMCUXHSSSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 45.55 ChemAxon polarizability 25.81 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16159 Specdb::CMs 44731 Specdb::CMs 154570 Specdb::MsMs 56544 Specdb::MsMs 56545 Specdb::MsMs 56546 Specdb::MsMs 111984 Specdb::MsMs 111985 Specdb::MsMs 111986 Specdb::MsMs 3061490 Specdb::MsMs 3061491 Specdb::MsMs 3061492 Specdb::MsMs 3109524 Specdb::MsMs 3109525 Specdb::MsMs 3109526 HMDB36112 #<Reference:0x000055ce32d68f48> Herbs and Spices Unknown generic