1.02010-04-08 22:08:43 UTC2018-05-28 23:24:58 UTCFDB009637Isobornyl isobutyrateIt is used as a food additive .C14H24O2224.3392224.177630012(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-methylpropanoate(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-methylpropanoate85586-67-0CC(C)C(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)CInChI=1S/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3/t10-,11-,14+/m0/s1KRKIAJBQOUBNSE-COPLHBTASA-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 compoundlogp4.24logs-4.04solubility2.05e-02 g/llogp3.67pka_strongest_basic-7.1iupac(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-methylpropanoateaverage_mass224.3392mono_mass224.177630012smilesCC(C)C(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)CformulaC14H24O2inchiInChI=1S/C14H24O2/c1-9(2)12(15)16-11-8-10-6-7-14(11,5)13(10,3)4/h9-11H,6-8H2,1-5H3/t10-,11-,14+/m0/s1inchikeyKRKIAJBQOUBNSE-COPLHBTASA-Npolar_surface_area26.3refractivity63.67polarizability26.32rotatable_bond_count3acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs12322Specdb::CMs137569Specdb::CMs145303Specdb::MsMs293179Specdb::MsMs293180Specdb::MsMs293181Specdb::MsMs333601Specdb::MsMs333602Specdb::MsMs333603Specdb::MsMs2382746Specdb::MsMs2382747Specdb::MsMs2382748Specdb::MsMs2580372Specdb::MsMs2580373Specdb::MsMs2580374HMDB32342#<Reference:0x0000555676288300>balsamearthyfir needleherbalspicywoody