1.0 2010-04-08 22:04:47 UTC 2015-07-20 21:36:32 UTC FDB000969 Allyl nonanoate Flavouring ingredient 2-Propenyl nonanoate 2-Propenyl pelargonate Allyl n-nonanoate Allyl nonan-1-oate Allyl nonanoate Allyl nonylate Allyl pelargonate FEMA 2036 Nonanoic acid, 2-propen-1-yl ester Nonanoic acid, 2-propenyl ester Nonanoic acid, allyl ester Nonanoic acid, allyl ester (8CI) C12H22O2 198.3019 198.161979948 prop-2-en-1-yl nonanoate prop-2-en-1-yl nonanoate 7493-72-3 CCCCCCCCC(=O)OCC=C InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3 MFLWLDDOGSNSKO-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 Liquid logp 4.50 ALOGPS logs -4.47 ALOGPS solubility 6.79e-03 g/l ALOGPS logp 4.02 ChemAxon pka_strongest_basic -7 ChemAxon iupac prop-2-en-1-yl nonanoate ChemAxon average_mass 198.3019 ChemAxon mono_mass 198.161979948 ChemAxon smiles CCCCCCCCC(=O)OCC=C ChemAxon formula C12H22O2 ChemAxon inchi InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3 ChemAxon inchikey MFLWLDDOGSNSKO-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 58.81 ChemAxon polarizability 24.89 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 55560 Specdb::MsMs 55561 Specdb::MsMs 55562 Specdb::MsMs 110745 Specdb::MsMs 110746 Specdb::MsMs 110747 Specdb::MsMs 2391262 Specdb::MsMs 2391263 Specdb::MsMs 2391264 Specdb::MsMs 2575369 Specdb::MsMs 2575370 Specdb::MsMs 2575371 Specdb::CMs 25804 Specdb::CMs 28577 Specdb::CMs 100467 Specdb::CMs 155980 Specdb::MsIr 3706 Specdb::MsIr 3707 HMDB29763 #<Reference:0x000055ce2ee8f600> creamy fruity pineapple sweet vinous waxy wine