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2-Hydroxyethansulfonsure
ISETHIONIC ACID · Isethionate · 2-Hydroxyethanesulfonate · C05123 · usafdo-14 · NSC 60516 · isethionic · Isethionicic
Identifikatoren & physikalische Daten
| CAS No. | 107-36-8 |
|---|---|
| Summenformel | C2H6O4S |
| Durchschnittliche Molmasse | 126,13 g/mol |
| Monoisotopische Masse | 125,99867967 g/mol |
| SMILES | O=S(=O)(O)CCO |
| InChIKey | SUMDYPCJJOFFON-UHFFFAOYSA-N |
| PubChem CID | 7866 |
| ChEBI | CHEBI:1157 |
| EC No. | 203-484-3 |
| DTXSID | DTXSID1041427 |
| Lokaler Name | 2-Hydroxyethansulfonsure |
Chemische & physikalische Eigenschaften
| XLogP | -1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 83 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 117 |
| Löslichkeit | 1000 mg/mLMethanol (Slightly), Water (Soluble) |
| Schmelzpunkt | < 25 °C<25 °C |
| Physical Description | Solid |
| Siedepunkt | 226℃ at 101.3kPa |
| Dichte | 1.344 (estimate) |
| Dampfdruck | 0Pa at 25℃ |
| Brechungsindex | 1.5090 (estimate) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | Colourless Solution |
| pKa (Säurekonstante) | 1.39±0.50(Predicted) |
| Farbe | Colorless to light yellow |
| InChI | InChI=1S/C2H6O4S/c3-1-2-7(4,5)6/h3H,1-2H2,(H,4,5,6) |
| InChIKey | SUMDYPCJJOFFON-UHFFFAOYSA-N |
| SMILES | C(S(O)(=O)=O)CO |
| LogP (Verteilungskoeffizient) | -1.65 at 25℃ and pH2 |
| CAS Datenbank | 107-36-8(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Hydroxyethanesulfonic acid (107-36-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.7% (1 of 137) of reports.DangerH314 (97.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P273, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 137 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 07-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/25109Ethanesulfonic acid, 2-hydroxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Corr. 1A (97.8%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3265 |
| Zollcode | 2930909899 |
| R-Sätze (R) | 40 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-36 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | Ⅲ |
Anwendungen & Verwendung
Verwenden
Detergents, surfactants, synthesis.