1.0 2010-04-08 22:13:09 UTC 2015-07-20 23:39:33 UTC FDB017543 Isobornyl isovalerate Flavouring agent 3-Methyl-(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl esterrel-butanoic acid 3-Methyl-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl esterexo-butanoic acid Butanoic acid, 3-methyl-, (1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel- Butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, exo- FEMA 2166 Gynoval Isobornyl 3-methylbutanoate Isobornyl isovalerate Isovaleric acid, isobornyl ester (8CI) C15H26O2 238.3657 238.193280076 (1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3-methylbutanoate (1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3-methylbutanoate 7779-73-9 CC(C)CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12-,15+/m0/s1 MPYYVGIJHREDBO-SLEUVZQESA-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 4.47 ALOGPS logs -4.41 ALOGPS solubility 9.35e-03 g/l ALOGPS logp 3.86 ChemAxon pka_strongest_basic -7 ChemAxon iupac (1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3-methylbutanoate ChemAxon average_mass 238.3657 ChemAxon mono_mass 238.193280076 ChemAxon smiles CC(C)CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ChemAxon formula C15H26O2 ChemAxon inchi InChI=1S/C15H26O2/c1-10(2)8-13(16)17-12-9-11-6-7-15(12,5)14(11,3)4/h10-12H,6-9H2,1-5H3/t11-,12-,15+/m0/s1 ChemAxon inchikey MPYYVGIJHREDBO-SLEUVZQESA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 68.24 ChemAxon polarizability 28.43 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11244 Specdb::CMs 134872 Specdb::CMs 142606 Specdb::MsMs 290854 Specdb::MsMs 290855 Specdb::MsMs 290856 Specdb::MsMs 330619 Specdb::MsMs 330620 Specdb::MsMs 330621 Specdb::MsMs 2658964 Specdb::MsMs 2658965 Specdb::MsMs 2658966 Specdb::MsMs 3050624 Specdb::MsMs 3050625 Specdb::MsMs 3050626 HMDB38250 #<Reference:0x000055ac40906798> apple camphor green pine root valerian woody