1.0 2011-03-30 21:42:09 UTC 2015-07-21 06:55:55 UTC FDB021768 Bis(1-methylethyl) hexanedioate Food additive [Goodscents] Bis(1-methylethyl) hexanedioate Diisopropyl adipate Diisopropyl ester Hexanedioic acid, 9ci Hexanedioic acid, 9CI; Diisopropyl ester C12H22O4 230.304 230.151809188 1,6-bis(propan-2-yl) hexanedioate diisopropyl adipate 6938-94-9 CC(C)OC(=O)CCCCC(=O)OC(C)C InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3 ZDQWESQEGGJUCH-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 fatty acid ester logp 2.79 ALOGPS logs -2.29 ALOGPS solubility 1.18e+00 g/l ALOGPS melting_point Mp -1° logp 2.33 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 1,6-bis(propan-2-yl) hexanedioate ChemAxon average_mass 230.304 ChemAxon mono_mass 230.151809188 ChemAxon smiles CC(C)OC(=O)CCCCC(=O)OC(C)C ChemAxon formula C12H22O4 ChemAxon inchi InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3 ChemAxon inchikey ZDQWESQEGGJUCH-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 60.61 ChemAxon polarizability 26.33 ChemAxon rotatable_bond_count 9 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 78213 Specdb::MsMs 78214 Specdb::MsMs 78215 Specdb::MsMs 138504 Specdb::MsMs 138505 Specdb::MsMs 138506 Specdb::MsMs 2290689 Specdb::MsMs 2290690 Specdb::MsMs 2290691 Specdb::MsMs 2644848 Specdb::MsMs 2644849 Specdb::MsMs 2644850 Specdb::CMs 24704 Specdb::CMs 28736 Specdb::CMs 28774 Specdb::CMs 28981 Specdb::CMs 29379 Specdb::CMs 102243 Specdb::CMs 102244 Specdb::CMs 102245 Specdb::CMs 102246 Specdb::CMs 163725 HMDB41613 #<Reference:0x000055ce31e246e0> estery fatty mild sour