1.0 2011-09-21 00:26:52 UTC 2015-10-09 22:33:37 UTC FDB023245 2-Hydroxyethanesulfonate Isethionic acid C2H6O4S is a short chain alkane sulfonate containing hydroxy group, is a water soluble liquid used in the manufacture of mild, biodegradable and high foaming anionic surfactants which provides gentle cleansing and soft skin feel. A colorless, syrupy, strongly acidic liquid that can form detergents with oleic acid. [HMDB] (2-Hydroxyethyl)sulfonate (2-Hydroxyethyl)sulfonic acid 2-Hydroxyethane-1-sulfonate 2-Hydroxyethane-1-sulfonic acid 2-Hydroxyethane-1-sulphonate 2-Hydroxyethane-1-sulphonic acid 2-Hydroxyethanesulfonate 2-Hydroxyethanesulfonic acid 2-Hydroxyethanesulphonate 2-Hydroxyethanesulphonic acid 2-Hydroxyethylsulfonate 2-Hydroxyethylsulfonic acid 2-Hydroxyethylsulphonate 2-Hydroxyethylsulphonic acid b-Hydroxyethanesulfonate b-Hydroxyethanesulfonic acid b-Hydroxyethanesulphonate b-Hydroxyethanesulphonic acid beta-Hydroxyethanesulfonate beta-Hydroxyethanesulfonic acid beta-Hydroxyethanesulphonate beta-Hydroxyethanesulphonic acid Ethanolsulfonate Ethanolsulfonic acid Hydroxyethylsulfonate Hydroxyethylsulfonic acid Isethionate Isethionic acid Isethionic acid sodium salt Kyselina isethionova Potassium 2-hydroxyethanesulfonate Potassium isethionate Sodium 2-hydroxyethanesulfonate Sodium 2-hydroxyethyl sulfonate Sodium beta-hydroxyethanesulfonate Sodium isethionate β-hydroxyethanesulfonate β-hydroxyethanesulfonic acid β-hydroxyethanesulphonate β-hydroxyethanesulphonic acid C2H6O4S 126.132 125.99867937 2-hydroxyethane-1-sulfonic acid sodium isethionate 107-36-8 OCCS(O)(=O)=O InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6) SUMDYPCJJOFFON-UHFFFAOYSA-N belongs to the class of organic compounds known as organosulfonic acids. Organosulfonic acids are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom). Organosulfonic acids Organic compounds Organic acids and derivatives Organic sulfonic acids and derivatives Organosulfonic acids and derivatives Aliphatic acyclic compounds Alkanesulfonic acids Hydrocarbon derivatives Organic oxides Primary alcohols Sulfonyls Alcohol Aliphatic acyclic compound Alkanesulfonic acid Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Organosulfonic acid Organosulfur compound Primary alcohol Sulfonyl alkanesulfonic acid Solid logp -2.17 ALOGPS logs -0.09 ALOGPS solubility 1.03e+02 g/l ALOGPS logp -2.9 ChemAxon pka_strongest_acidic -1.4 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 2-hydroxyethane-1-sulfonic acid ChemAxon average_mass 126.132 ChemAxon mono_mass 125.99867937 ChemAxon smiles OCCS(O)(=O)=O ChemAxon formula C2H6O4S ChemAxon inchi InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6) ChemAxon inchikey SUMDYPCJJOFFON-UHFFFAOYSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 22.95 ChemAxon polarizability 10.43 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 2073 Specdb::MsIr 2074 Specdb::MsIr 2075 Specdb::MsMs 25655 Specdb::MsMs 25656 Specdb::MsMs 25657 Specdb::MsMs 32213 Specdb::MsMs 32214 Specdb::MsMs 32215 Specdb::MsMs 437992 Specdb::MsMs 437993 Specdb::MsMs 437994 Specdb::MsMs 437995 Specdb::MsMs 437996 Specdb::MsMs 2252417 Specdb::MsMs 2254427 Specdb::MsMs 2256135 Specdb::MsMs 2786563 Specdb::MsMs 2786564 Specdb::MsMs 2786565 Specdb::MsMs 2918603 Specdb::MsMs 2918604 Specdb::MsMs 2918605 Specdb::NmrOneD 34862 Specdb::NmrOneD 34863 Specdb::NmrOneD 34864 Specdb::NmrOneD 34865 Specdb::NmrOneD 34866 Specdb::NmrOneD 34867 Specdb::NmrOneD 34868 Specdb::NmrOneD 34869 Specdb::NmrOneD 34870 Specdb::NmrOneD 34871 Specdb::NmrOneD 34872 Specdb::NmrOneD 34873 Specdb::NmrOneD 34874 Specdb::NmrOneD 34875 Specdb::NmrOneD 34876 Specdb::NmrOneD 34877 Specdb::NmrOneD 34878 Specdb::NmrOneD 34879 Specdb::NmrOneD 34880 Specdb::NmrOneD 34881 Specdb::CMs 24397 Specdb::CMs 38671 Specdb::CMs 167555 HMDB03903 #<Reference:0x000055ce30656ab8> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823