1.0 2010-04-08 22:12:31 UTC 2018-05-29 01:27:15 UTC FDB016589 Butyl oleate sulfate Surfactant. It is used in dehydration of grapes to produce raisins and as a coating for citrus fruits (Sulfooxy)-9-octadecenoic acid, 1-butyl ester 1-Butyl (sulfooxy)-9-octadecenoate 1-Butyl (sulfooxy)oleate 1-Butyl (sulphooxy)-9-octadecenoate 9-Octadecenoic acid, (sulfooxy)-, 1-butyl ester Butyl (sulfooxy)-9-octadecenoate, 9CI Butyl oleate, sulfated Butyl oleate, sulphated Sulfated butyl oleate C22H42O6S 434.63 434.270209766 {[(9E)-18-butoxy-18-oxooctadec-9-en-1-yl]oxy}sulfonic acid [(9E)-18-butoxy-18-oxooctadec-9-en-1-yl]oxysulfonic acid 38621-44-2 CCCCOC(=O)CCCCCCC\C=C\CCCCCCCCOS(O)(=O)=O InChI=1S/C22H42O6S/c1-2-3-20-27-22(23)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21-28-29(24,25)26/h4-5H,2-3,6-21H2,1H3,(H,24,25,26)/b5-4+ DCFGGGCMICWSJX-SNAWJCMRSA-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 Alkyl sulfates Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Sulfuric acid monoesters Aliphatic acyclic compound Alkyl sulfate Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organooxygen compound Sulfate-ester Sulfuric acid ester Sulfuric acid monoester logp 3.81 ALOGPS logs -6.73 ALOGPS solubility 8.04e-05 g/l ALOGPS logp 6.87 ChemAxon pka_strongest_acidic -1.5 ChemAxon pka_strongest_basic -7 ChemAxon iupac {[(9E)-18-butoxy-18-oxooctadec-9-en-1-yl]oxy}sulfonic acid ChemAxon average_mass 434.63 ChemAxon mono_mass 434.270209766 ChemAxon smiles CCCCOC(=O)CCCCCCC\C=C\CCCCCCCCOS(O)(=O)=O ChemAxon formula C22H42O6S ChemAxon inchi InChI=1S/C22H42O6S/c1-2-3-20-27-22(23)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-21-28-29(24,25)26/h4-5H,2-3,6-21H2,1H3,(H,24,25,26)/b5-4+ ChemAxon inchikey DCFGGGCMICWSJX-SNAWJCMRSA-N ChemAxon polar_surface_area 89.9 ChemAxon refractivity 117.97 ChemAxon polarizability 52.88 ChemAxon rotatable_bond_count 22 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22308 Specdb::CMs 175423 Specdb::MsMs 61989 Specdb::MsMs 61990 Specdb::MsMs 61991 Specdb::MsMs 118638 Specdb::MsMs 118639 Specdb::MsMs 118640 Specdb::MsMs 2433589 Specdb::MsMs 2433590 Specdb::MsMs 2433591 Specdb::MsMs 2505014 Specdb::MsMs 2505015 Specdb::MsMs 2505016 HMDB37511 #<Reference:0x000055ce32c49040>