1.0 2010-04-08 22:08:23 UTC 2019-11-26 03:03:23 UTC FDB009029 Bornyl acetate Bornyl acetate, also known as bornyl acetic acid, 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. Bornyl acetate is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Bornyl acetate is a camphor, cedar, and herbal tasting compound and can be found in a number of food items such as nutmeg, rosemary, spearmint, and sunflower, which makes bornyl acetate a potential biomarker for the consumption of these food products. (±)-Bornyl acetate 1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ol acetate, (1R,2S,4R)-rel- Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, 2-acetate, (1R,2S,4R)-rel- Bicyclo[2.2.1]heptan-2-ol, 1,7,7-trimethyl-, acetate, endo- Borneol, acetate Borneyl acetate Bornyl acetate Bornyl acetic ester Bornyl ethanoate dl-Bornyl acetate endo-Bornyl acetate C12H20O2 196.286 196.146329884 (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate 76-49-3 CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1 KGEKLUUHTZCSIP-HOSYDEDBSA-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 Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Bicyclic monoterpenoid Bornane monoterpenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 3.50 ALOGPS logs -3.51 ALOGPS solubility 6.01e-02 g/l ALOGPS logp 2.43 ChemAxon pka_strongest_basic -7 ChemAxon iupac (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetate ChemAxon average_mass 196.286 ChemAxon mono_mass 196.146329884 ChemAxon smiles CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ChemAxon formula C12H20O2 ChemAxon inchi InChI=1S/C12H20O2/c1-8(13)14-10-7-9-5-6-12(10,4)11(9,2)3/h9-10H,5-7H2,1-4H3/t9-,10+,12+/m0/s1 ChemAxon inchikey KGEKLUUHTZCSIP-HOSYDEDBSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 54.47 ChemAxon polarizability 22.6 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 99672 Specdb::MsMs 99673 Specdb::MsMs 99674 Specdb::MsMs 164844 Specdb::MsMs 164845 Specdb::MsMs 164846 Specdb::MsMs 3604813 Specdb::MsMs 3604814 Specdb::MsMs 3604815 Specdb::MsMs 3604816 Specdb::MsMs 3604817 Specdb::MsMs 3604818 Carrot Type 1 specific Daucus carota ssp. sativus 79200 2.4 2.4 2.4 mg/100 g Ceylon cinnamon Type 1 specific Cinnamomum verum 128608 1.5 1.5 1.5 mg/100 g Common oregano Type 1 specific Origanum vulgare 39352 1.1 1.1 1.1 mg/100 g Common persimmon Type 1 specific Diospyros virginiana 13493 Common sage Type 1 specific Salvia officinalis 38868 89.25 89.25 89.25 mg/100 g Common thyme Type 1 specific Thymus vulgaris 49992 40.55 40.55 40.55 mg/100 g Coriander Type 1 specific Coriandrum sativum 4047 Cumin Type 1 specific Cuminum cyminum 52462 3.6 3.6 3.6 mg/100 g German camomile Type 1 specific Matricaria recutita 127986 Ginger Type 1 specific Zingiber officinale 94328 5.35 5.35 5.35 mg/100 g Hyssop Type 1 specific Hyssopus officinalis 39324 Nutmeg Type 1 specific Myristica fragrans 51089 Pot marjoram Type 1 specific Origanum onites 452416 0.005 0.005 0.005 mg/100 g Rosemary Type 1 specific Rosmarinus officinalis 39367 174.468333 505.4 8.755 mg/100 g Saffron Type 1 specific Crocus sativus 82528 Spearmint Type 1 specific Mentha spicata 29719 8.8 8.8 8.8 mg/100 g Summer savory Type 1 specific Satureja hortensis 49987 Sunflower Type 1 specific Helianthus annuus 4232 Sweet basil Type 1 specific Ocimum basilicum 39350 49.5 49.5 49.5 mg/100 g Sweet bay Type 1 specific Laurus nobilis 85223 Wild carrot Type 1 specific Daucus carota 4039 2.4 2.4 2.4 mg/100 g Winter savory Type 1 specific Satureja montana 49988 1.55 1.55 1.55 mg/100 g camphor cedar herbal pine pine needle spice woody (-)-chronotropic 2 (-)-inotropic 3 anti bacterial 145 A substance that kills or slows the growth of bacteria. anti feedant 275 anti spasmodic 619 Any substance introduced into a living organism with therapeutic or diagnostic purpose. anti viral 689 A substance that destroys or inhibits replication of viruses. expectorant 925 Any substance introduced into a living organism with therapeutic or diagnostic purpose. flavor 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. insectifuge 1041 Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. myorelaxant 1134 pesticide 1210 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. sedative 1311 A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.