1.0 2010-04-08 22:14:00 UTC 2018-05-29 01:39:18 UTC FDB018893 Tricycloekasantalol Flavouring ingredient. Isolated from oil of sandalwood (Santalum album) 2,3-Dimethyltricyclo[2.2.1.02,6]heptane-3-propanol, 9CI C12H20O 180.2866 180.151415262 3-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}propan-1-ol 3-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}propan-1-ol 16933-12-3 CC12C3CC(CC13)C2(C)CCCO InChI=1S/C12H20O/c1-11(4-3-5-13)8-6-9-10(7-8)12(9,11)2/h8-10,13H,3-7H2,1-2H3 PICWCIWTSQRPHV-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 Hydrocarbon derivatives Primary alcohols Alcohol Aliphatic homopolycyclic compound Bornane monoterpenoid Hydrocarbon derivative Organic oxygen compound Organooxygen compound Primary alcohol logp 2.81 ALOGPS logs -3.51 ALOGPS solubility 5.55e-02 g/l ALOGPS logp 1.89 ChemAxon pka_strongest_acidic 16.76 ChemAxon pka_strongest_basic -2 ChemAxon iupac 3-{2,3-dimethyltricyclo[2.2.1.0²,⁶]heptan-3-yl}propan-1-ol ChemAxon average_mass 180.2866 ChemAxon mono_mass 180.151415262 ChemAxon smiles CC12C3CC(CC13)C2(C)CCCO ChemAxon formula C12H20O ChemAxon inchi InChI=1S/C12H20O/c1-11(4-3-5-13)8-6-9-10(7-8)12(9,11)2/h8-10,13H,3-7H2,1-2H3 ChemAxon inchikey PICWCIWTSQRPHV-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 53.02 ChemAxon polarizability 21.94 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 13445 Specdb::CMs 46370 Specdb::CMs 132469 Specdb::CMs 140203 Specdb::MsMs 10880 Specdb::MsMs 10881 Specdb::MsMs 10882 Specdb::MsMs 17552 Specdb::MsMs 17553 Specdb::MsMs 17554 Specdb::MsMs 2683467 Specdb::MsMs 2683468 Specdb::MsMs 2683469 Specdb::MsMs 3021456 Specdb::MsMs 3021457 Specdb::MsMs 3021458 HMDB39339 #<Reference:0x000055ce317e4e60>