1.0 2010-04-08 22:13:09 UTC 2015-07-20 23:39:30 UTC FDB017540 Bornyl isovalerate Flavouring agent 3-Methyl-(1R,2S,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 esterendo-butanoic acid Borneol, isovalerate (8CI) Bornyl isovalerate Bornyval Butanoic acid, 3-methyl-, (1R,2S,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, endo- FEMA 2165 Hysterol Isovaleric acid, 2-bornyl ester (6CI,7CI,8CI) C15H26O2 238.3657 238.193280076 (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3-methylbutanoate (1S,2R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl 3-methylbutanoate 76-50-6 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-YWPYICTPSA-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,2R,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-YWPYICTPSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 68.24 ChemAxon polarizability 28.45 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17701 Specdb::CMs 152041 Specdb::MsMs 305188 Specdb::MsMs 305189 Specdb::MsMs 305190 Specdb::MsMs 348541 Specdb::MsMs 348542 Specdb::MsMs 348543 Specdb::MsMs 2366221 Specdb::MsMs 2366222 Specdb::MsMs 2366223 Specdb::MsMs 2598961 Specdb::MsMs 2598962 Specdb::MsMs 2598963 HMDB38248 #<Reference:0x00005612732392c8> camphor earth green herb valerian