1.0 2010-04-08 22:11:19 UTC 2025-11-19 00:47:25 UTC FDB014519 Fenchone Fenchone is a natural organic compound classified as a monoterpene and a ketone. It is a colorless oily liquid. It has a structure and an odor similar to camphor. Fenchone is a constituent of absinthe and the essential oil of fennel. Fenchone is used as a flavor in foods and in perfumery. Only 2 stereoisomers are possible: D-fenchone (enantiomer 1S,4R is dextrogyre (+)) and L-fenchone (enantiomer 1R,4S is levogyre (-)). Due to the small size of the cycle, the 2 other diastereoisomers (1S4S and 1R4R) are not possible. [Wikipedia]. Fenchone is found in many foods, some of which are ceylon cinnamon, sweet basil, saffron, and dill. 1,3,3-Trimethylbicyclo[2.2.1]heptan-2-one, 9CI Fenchol (obsol.) C10H16O 152.2334 152.120115134 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one fenchone 1195-79-5 CC1(C)C2CCC(C)(C2)C1=O InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3 LHXDLQBQYFFVNW-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 Ketones Organic oxides Aliphatic homopolycyclic compound Bicyclic monoterpenoid Carbonyl group Fenchane monoterpenoid Hydrocarbon derivative Ketone Organic oxide Organic oxygen compound Organooxygen compound Bicyclic monoterpenoids Bicyclic monoterpenoids Cyclic monoterpenes a small molecule carbobicyclic compound cyclic terpene ketone fenchane monoterpenoid logp 2.54 ALOGPS logs -2.24 ALOGPS solubility 8.83e-01 g/l ALOGPS logp 3.06 ChemAxon pka_strongest_basic -7.6 ChemAxon iupac 1,3,3-trimethylbicyclo[2.2.1]heptan-2-one ChemAxon average_mass 152.2334 ChemAxon mono_mass 152.120115134 ChemAxon smiles CC1(C)C2CCC(C)(C2)C1=O ChemAxon formula C10H16O ChemAxon inchi InChI=1S/C10H16O/c1-9(2)7-4-5-10(3,6-7)8(9)11/h7H,4-6H2,1-3H3 ChemAxon inchikey LHXDLQBQYFFVNW-UHFFFAOYSA-N ChemAxon polar_surface_area 17.07 ChemAxon refractivity 44.54 ChemAxon polarizability 17.85 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6760 Specdb::MsIr 6761 Specdb::EiMs 1971 Specdb::CMs 20990 Specdb::CMs 27294 Specdb::CMs 28426 Specdb::CMs 101668 Specdb::CMs 101669 Specdb::CMs 103758 Specdb::CMs 162129 Specdb::MsMs 81477 Specdb::MsMs 81478 Specdb::MsMs 81479 Specdb::MsMs 142593 Specdb::MsMs 142594 Specdb::MsMs 142595 Specdb::MsMs 2779621 Specdb::MsMs 2779622 Specdb::MsMs 2779623 Specdb::MsMs 2903199 Specdb::MsMs 2903200 Specdb::MsMs 2903201 HMDB0034985 4999 Anise Type 1 specific Pimpinella anisum 271192 Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 Chinese cinnamon Type 1 specific Cinnamomum aromaticum 119260 Cloves Type 1 specific Syzygium aromaticum 219868 Dill Type 1 specific Anethum graveolens 40922 Fennel Type 1 specific Foeniculum vulgare 48038 Rosemary Type 1 specific Rosmarinus officinalis 39367 25.0 25.0 25.0 mg/100 g Saffron Type 1 specific Crocus sativus 82528 Star anise Type 1 specific Illicium verum 124778 0.1 0.1 0.1 mg/100 g Sweet basil Type 1 specific Ocimum basilicum 39350 3.0 3.0 3.0 mg/100 g Anti cholinesterase 184 An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8). Anti-Alzheimeran 105 Any substance introduced into a living organism with therapeutic or diagnostic purpose. Counterirritant 839 Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Perfumery 1206 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. Secretolytic 1309