1.0 2010-04-08 22:08:43 UTC 2018-05-28 23:24:58 UTC FDB009638 Isobornyl 2-methylbutyrate It is used as a food additive . 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl 3-methylbutanoate Bornyl 2-methylbutyrate Isobornyl 2-methyl butyrate C15H26O2 238.3657 238.193280076 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-methylbutanoate 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-methylbutanoate 94200-10-9 CCC(C)C(=O)OC1CC2CCC1(C)C2(C)C InChI=1S/C15H26O2/c1-6-10(2)13(16)17-12-9-11-7-8-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3 CEVCMCWHMHJEQS-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 Carbonyl compounds Carboxylic acid esters Fatty 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 Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 4.75 ALOGPS logs -4.28 ALOGPS solubility 1.26e-02 g/l ALOGPS logp 4.12 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 2-methylbutanoate ChemAxon average_mass 238.3657 ChemAxon mono_mass 238.193280076 ChemAxon smiles CCC(C)C(=O)OC1CC2CCC1(C)C2(C)C ChemAxon formula C15H26O2 ChemAxon inchi InChI=1S/C15H26O2/c1-6-10(2)13(16)17-12-9-11-7-8-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3 ChemAxon inchikey CEVCMCWHMHJEQS-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 68.27 ChemAxon polarizability 28.34 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25987 Specdb::CMs 132316 Specdb::CMs 140050 Specdb::MsMs 70053 Specdb::MsMs 70054 Specdb::MsMs 70055 Specdb::MsMs 128487 Specdb::MsMs 128488 Specdb::MsMs 128489 Specdb::MsMs 3045952 Specdb::MsMs 3045953 Specdb::MsMs 3045954 Specdb::MsMs 3093682 Specdb::MsMs 3093683 Specdb::MsMs 3093684 HMDB32343 #<Reference:0x000055ce31cb0ef8> herbal woody