1.0 2010-04-08 22:10:09 UTC 2018-05-28 23:36:28 UTC FDB012401 Isopropyl nonanoate It is used in food flavouring. Isopropyl nonan-1-oate Isopropyl nonanoate Isopropyl nonylate Isopropyl pelargonate Nonanoic acid, 1-methylethyl ester C12H24O2 200.3178 200.177630012 propan-2-yl nonanoate isopropyl nonanoate 28267-32-5 CCCCCCCCC(=O)OC(C)C InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-12(13)14-11(2)3/h11H,4-10H2,1-3H3 DVFZGWDMFKTMFQ-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 4.83 ALOGPS logs -4.20 ALOGPS solubility 1.25e-02 g/l ALOGPS logp 4.06 ChemAxon pka_strongest_basic -7 ChemAxon iupac propan-2-yl nonanoate ChemAxon average_mass 200.3178 ChemAxon mono_mass 200.177630012 ChemAxon smiles CCCCCCCCC(=O)OC(C)C ChemAxon formula C12H24O2 ChemAxon inchi InChI=1S/C12H24O2/c1-4-5-6-7-8-9-10-12(13)14-11(2)3/h11H,4-10H2,1-3H3 ChemAxon inchikey DVFZGWDMFKTMFQ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 58.81 ChemAxon polarizability 25.55 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14545 Specdb::CMs 28578 Specdb::CMs 101520 Specdb::CMs 137530 Specdb::CMs 145264 Specdb::MsIr 6414 Specdb::MsIr 6415 Specdb::MsMs 81195 Specdb::MsMs 81196 Specdb::MsMs 81197 Specdb::MsMs 142248 Specdb::MsMs 142249 Specdb::MsMs 142250 Specdb::MsMs 2435647 Specdb::MsMs 2435648 Specdb::MsMs 2435649 Specdb::MsMs 2527464 Specdb::MsMs 2527465 Specdb::MsMs 2527466 HMDB34128 #<Reference:0x000055ce2ca1a090>