1.02010-04-08 22:08:23 UTC2019-11-26 03:03:23 UTCFDB009029Bornyl acetateBornyl 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 acetate1,7,7-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, acetateBorneyl acetateBornyl acetateBornyl acetic esterBornyl ethanoatedl-Bornyl acetateendo-Bornyl acetateC12H20O2196.286196.146329884(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 acetate76-49-3CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)CInChI=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/s1KGEKLUUHTZCSIP-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 monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAliphatic homopolycyclic compoundsCarbonyl compoundsCarboxylic acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic homopolycyclic compoundBicyclic monoterpenoidBornane monoterpenoidCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp3.50logs-3.51solubility6.01e-02 g/llogp2.43pka_strongest_basic-7iupac(1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl acetateaverage_mass196.286mono_mass196.146329884smilesCC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)CformulaC12H20O2inchiInChI=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/s1inchikeyKGEKLUUHTZCSIP-HOSYDEDBSA-Npolar_surface_area26.3refractivity54.47polarizability22.6rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsMs99672Specdb::MsMs99673Specdb::MsMs99674Specdb::MsMs164844Specdb::MsMs164845Specdb::MsMs164846Specdb::MsMs3604813Specdb::MsMs3604814Specdb::MsMs3604815Specdb::MsMs3604816Specdb::MsMs3604817Specdb::MsMs3604818CarrotType 1specificDaucus carota ssp. sativus792002.42.42.4mg/100 gCeylon cinnamonType 1specificCinnamomum verum1286081.51.51.5mg/100 gCommon oreganoType 1specificOriganum vulgare393521.11.11.1mg/100 gCommon persimmonType 1specificDiospyros virginiana13493Common sageType 1specificSalvia officinalis3886889.2589.2589.25mg/100 gCommon thymeType 1specificThymus vulgaris4999240.5540.5540.55mg/100 gCorianderType 1specificCoriandrum sativum4047CuminType 1specificCuminum cyminum524623.63.63.6mg/100 gGerman camomileType 1specificMatricaria recutita127986GingerType 1specificZingiber officinale943285.355.355.35mg/100 gHyssopType 1specificHyssopus officinalis39324NutmegType 1specificMyristica fragrans51089Pot marjoramType 1specificOriganum onites4524160.0050.0050.005mg/100 gRosemaryType 1specificRosmarinus officinalis39367174.468333505.48.755mg/100 gSaffronType 1specificCrocus sativus82528SpearmintType 1specificMentha spicata297198.88.88.8mg/100 gSummer savoryType 1specificSatureja hortensis49987SunflowerType 1specificHelianthus annuus4232Sweet basilType 1specificOcimum basilicum3935049.549.549.5mg/100 gSweet bayType 1specificLaurus nobilis85223Wild carrotType 1specificDaucus carota40392.42.42.4mg/100 gWinter savoryType 1specificSatureja montana499881.551.551.55mg/100 gcamphorcedarherbalpinepine needlespicewoody(-)-chronotropic2(-)-inotropic3anti bacterial145A substance that kills or slows the growth of bacteria.anti feedant275anti spasmodic619Any substance introduced into a living organism with therapeutic or diagnostic purpose.anti viral689A substance that destroys or inhibits replication of viruses.expectorant925Any substance introduced into a living organism with therapeutic or diagnostic purpose.flavor936A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.insectifuge1041Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.myorelaxant1134pesticide1210Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.sedative1311A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.