1.0 2010-04-08 22:08:43 UTC 2018-05-28 23:24:58 UTC FDB009637 Isobornyl isobutyrate It is used as a food additive . C14H24O2 224.3392 224.177630012 (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-methylpropanoate 85586-67-0 CC(C)C(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C InChI=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/s1 KRKIAJBQOUBNSE-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 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 4.24 ALOGPS logs -4.04 ALOGPS solubility 2.05e-02 g/l ALOGPS logp 3.67 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac (1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-methylpropanoate ChemAxon average_mass 224.3392 ChemAxon mono_mass 224.177630012 ChemAxon smiles CC(C)C(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ChemAxon formula C14H24O2 ChemAxon inchi InChI=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/s1 ChemAxon inchikey KRKIAJBQOUBNSE-COPLHBTASA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 63.67 ChemAxon polarizability 26.32 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 293179 Specdb::MsMs 293180 Specdb::MsMs 293181 Specdb::MsMs 333601 Specdb::MsMs 333602 Specdb::MsMs 333603 Specdb::MsMs 2382746 Specdb::MsMs 2382747 Specdb::MsMs 2382748 Specdb::MsMs 2580372 Specdb::MsMs 2580373 Specdb::MsMs 2580374 Specdb::CMs 12322 Specdb::CMs 137569 Specdb::CMs 145303 HMDB32342 #<Reference:0x000055ce305c66e8> balsam earthy fir needle herbal spicy woody