1.0 2011-03-30 21:42:27 UTC 2015-07-21 06:56:05 UTC FDB021780 Dioctyl hexanedioate Food additive [Goodscents] Dioctyl hexanedioate C22H42O4 370.574 370.308309832 1,6-dioctyl hexanedioate dioctyl adipate 123-79-5 CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3 NEHDRDVHPTWWFG-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 Carbonyl compounds Carboxylic acid esters Dicarboxylic acids and derivatives Fatty acid esters Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty acid ester Fatty alcohol ester Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound logp 7.34 ALOGPS logs -6.63 ALOGPS solubility 8.62e-05 g/l ALOGPS melting_point Mp 9.5-9.8° logp 6.99 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 1,6-dioctyl hexanedioate ChemAxon average_mass 370.574 ChemAxon mono_mass 370.308309832 ChemAxon smiles CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC ChemAxon formula C22H42O4 ChemAxon inchi InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3 ChemAxon inchikey NEHDRDVHPTWWFG-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 106.83 ChemAxon polarizability 47.85 ChemAxon rotatable_bond_count 21 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20562 Specdb::CMs 27399 Specdb::CMs 29653 Specdb::CMs 29797 Specdb::CMs 102255 Specdb::CMs 102256 Specdb::CMs 102257 Specdb::CMs 169190 Specdb::MsMs 100788 Specdb::MsMs 100789 Specdb::MsMs 100790 Specdb::MsMs 166230 Specdb::MsMs 166231 Specdb::MsMs 166232 Specdb::MsMs 2344586 Specdb::MsMs 2344587 Specdb::MsMs 2344588 Specdb::MsMs 2591104 Specdb::MsMs 2591105 Specdb::MsMs 2591106 HMDB41619 #<Reference:0x000055ce32f6a378> fatty mild