1.0 2010-04-08 22:12:17 UTC 2015-07-20 23:26:37 UTC FDB016177 3-Nonanon-1-yl acetate Flavouring ingredient [DFC] C11H20O3 200.2747 200.141244506 3-oxononyl acetate 3-oxononyl acetate 7779-54-6 CCCCCCC(=O)CCOC(C)=O InChI=1S/C11H20O3/c1-3-4-5-6-7-11(13)8-9-14-10(2)12/h3-9H2,1-2H3 SIDKXKCKKVBGMY-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Fatty alcohol esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohol esters Aliphatic acyclic compounds Carboxylic acid esters Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty alcohol ester Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.44 ALOGPS logs -2.85 ALOGPS solubility 2.85e-01 g/l ALOGPS logp 2.45 ChemAxon pka_strongest_acidic 18.56 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 3-oxononyl acetate ChemAxon average_mass 200.2747 ChemAxon mono_mass 200.141244506 ChemAxon smiles CCCCCCC(=O)CCOC(C)=O ChemAxon formula C11H20O3 ChemAxon inchi InChI=1S/C11H20O3/c1-3-4-5-6-7-11(13)8-9-14-10(2)12/h3-9H2,1-2H3 ChemAxon inchikey SIDKXKCKKVBGMY-UHFFFAOYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 54.78 ChemAxon polarizability 23.7 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19095 Specdb::CMs 135337 Specdb::CMs 143071 Specdb::MsMs 81168 Specdb::MsMs 81169 Specdb::MsMs 81170 Specdb::MsMs 142209 Specdb::MsMs 142210 Specdb::MsMs 142211 Specdb::MsMs 2702065 Specdb::MsMs 2702066 Specdb::MsMs 2702067 Specdb::MsMs 3006504 Specdb::MsMs 3006505 Specdb::MsMs 3006506 Specdb::MsIr 7452 Specdb::MsIr 7453 HMDB37179 #<Reference:0x000055ce331fe558> floral fruity mignonette waxy