1.0 2010-04-08 22:13:09 UTC 2015-07-20 23:39:29 UTC FDB017538 Bornyl butyrate Flavouring agent 1,7,7-Trimethylbicyclo[2.2.1]hept-2-yl butyrate Borneol, butyrate Bornyl butanoate Bornyl butyrate Bornyl ester of n-butanoic acid Butyric acid, 2-bornyl ester Butyric acid, 2-bornyl ester (8CI) Endo-bornyl butyrate FEMA 3907 C14H24O2 224.3392 224.177630012 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl butanoate 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl butanoate 13109-70-1 CCCC(=O)OC1CC2CCC1(C)C2(C)C InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3 VIPNQHBVIDJXJE-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 4.35 ALOGPS logs -3.97 ALOGPS solubility 2.40e-02 g/l ALOGPS logp 3.58 ChemAxon pka_strongest_basic -7 ChemAxon iupac 1,7,7-trimethylbicyclo[2.2.1]heptan-2-yl butanoate ChemAxon average_mass 224.3392 ChemAxon mono_mass 224.177630012 ChemAxon smiles CCCC(=O)OC1CC2CCC1(C)C2(C)C ChemAxon formula C14H24O2 ChemAxon inchi InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3 ChemAxon inchikey VIPNQHBVIDJXJE-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 63.69 ChemAxon polarizability 26.51 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25391 Specdb::CMs 28293 Specdb::CMs 28387 Specdb::CMs 101940 Specdb::CMs 101941 Specdb::CMs 156703 Specdb::MsMs 102201 Specdb::MsMs 102202 Specdb::MsMs 102203 Specdb::MsMs 167961 Specdb::MsMs 167962 Specdb::MsMs 167963 Specdb::MsMs 2733903 Specdb::MsMs 2733904 Specdb::MsMs 2733905 Specdb::MsMs 2971611 Specdb::MsMs 2971612 Specdb::MsMs 2971613 HMDB38246 #<Reference:0x000055ce321ccf18> herb herbal wood woody