1.0 2010-04-08 22:08:39 UTC 2018-05-28 23:24:34 UTC FDB009581 Hexyl nonanoate It is used as a food additive . Hexyl Nonan-1-oate Hexyl pelargonate C15H30O2 242.3975 242.224580204 hexyl nonanoate hexyl nonanoate 6561-39-3 CCCCCCCCC(=O)OCCCCCC InChI=1S/C15H30O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h3-14H2,1-2H3 GPHBCFMWKGZPRP-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 6.09 ALOGPS logs -5.67 ALOGPS solubility 5.20e-04 g/l ALOGPS logp 5.5 ChemAxon pka_strongest_basic -7 ChemAxon iupac hexyl nonanoate ChemAxon average_mass 242.3975 ChemAxon mono_mass 242.224580204 ChemAxon smiles CCCCCCCCC(=O)OCCCCCC ChemAxon formula C15H30O2 ChemAxon inchi InChI=1S/C15H30O2/c1-3-5-7-9-10-11-13-15(16)17-14-12-8-6-4-2/h3-14H2,1-2H3 ChemAxon inchikey GPHBCFMWKGZPRP-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 72.72 ChemAxon polarizability 32.21 ChemAxon rotatable_bond_count 13 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25846 Specdb::CMs 28580 Specdb::CMs 101120 Specdb::CMs 153103 Specdb::MsMs 78324 Specdb::MsMs 78325 Specdb::MsMs 78326 Specdb::MsMs 138648 Specdb::MsMs 138649 Specdb::MsMs 138650 Specdb::MsMs 2279435 Specdb::MsMs 2279436 Specdb::MsMs 2279437 Specdb::MsMs 3090241 Specdb::MsMs 3090242 Specdb::MsMs 3090243 HMDB32328 32361 #<Reference:0x000055ce32a63708> brandy fruity green vegetable