1.0 2011-03-30 21:42:20 UTC 2015-07-21 06:56:00 UTC FDB021774 Dipropyl hexanedioate Food additive [Goodscents] Dipropyl adipate Dipropyl ester Dipropyl hexanedioate Hexanedioic acid, 9CI; Dipropyl ester C12H22O4 230.304 230.151809188 1,6-dipropyl hexanedioate 1,6-dipropyl hexanedioate 106-19-4 CCCOC(=O)CCCCC(=O)OCCC InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3 NKOUWLLFHNBUDW-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 Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound logp 2.93 ALOGPS logs -2.76 ALOGPS solubility 4.04e-01 g/l ALOGPS melting_point Mp -20° logp 2.54 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 1,6-dipropyl hexanedioate ChemAxon average_mass 230.304 ChemAxon mono_mass 230.151809188 ChemAxon smiles CCCOC(=O)CCCCC(=O)OCCC ChemAxon formula C12H22O4 ChemAxon inchi InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3 ChemAxon inchikey NKOUWLLFHNBUDW-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 60.82 ChemAxon polarizability 26.72 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 21266 Specdb::CMs 27497 Specdb::CMs 28735 Specdb::CMs 28773 Specdb::CMs 28980 Specdb::CMs 29378 Specdb::CMs 102247 Specdb::CMs 102248 Specdb::CMs 102249 Specdb::CMs 102250 Specdb::CMs 102251 Specdb::CMs 168839 Specdb::MsMs 72963 Specdb::MsMs 72964 Specdb::MsMs 72965 Specdb::MsMs 132021 Specdb::MsMs 132022 Specdb::MsMs 132023 Specdb::MsMs 2310962 Specdb::MsMs 2310963 Specdb::MsMs 2310964 Specdb::MsMs 2651651 Specdb::MsMs 2651652 Specdb::MsMs 2651653 HMDB41614 #<Reference:0x000055ce31e2d308> alcoholic mild