594-45-6
| Name | Ethanesulfonic acid |
| CAS | 594-45-6 |
| EINECS(EC#) | 209-843-0 |
| Molecular Formula | C2H6O3S |
| MDL Number | MFCD00007529 |
| Molecular Weight | 110.13 |
| MOL File | 594-45-6.mol |
Chemical Properties
| Appearance | clear yellow to brown liquid |
| Melting point | -17 °C (lit.) |
| Boiling point | 123 °C/0.01 mmHg (lit.) |
| density | 1.35 g/mL at 25 °C(lit.) |
| refractive index | n |
| Fp | >230 °F |
| storage temp. | Store below +30°C. |
| solubility | water: soluble |
| form | Liquid |
| pka | 1.83±0.50(Predicted) |
| color | Colorless to yellow |
| Specific Gravity | 1.357 |
| Water Solubility | soluble |
| BRN | 1743071 |
| InChI | 1S/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5) |
| InChIKey | CCIVGXIOQKPBKL-UHFFFAOYSA-N |
| SMILES | O=S(O)(CC)=O |
| LogP | -1.577 (est) |
| CAS DataBase Reference | 594-45-6(CAS DataBase Reference) |
Safety Data
| Symbol(GHS) |  GHS05 |
| Signal word | Danger |
| Hazard statements | H314 |
| Precautionary statements | P280-P303+P361+P353-P305+P351+P338+P310 |
| Hazard Codes | C |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2586 8/PG 3 |
| WGK Germany | 3 |
| TSCA | Yes |
| REACH Registrations | Active |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 29041000 |
| Storage Class | 8A - Combustible corrosive hazardous materials |
| Hazard Classifications | Acute Tox. 4 Oral Eye Dam. 1 Skin Corr. 1B |
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During heating under reflux, the nitrogen gas was blown and the portion of steam was evaporated from the reaction system. 55 weight% aqueous solution of isethionic acid was obtained as a product. Purity of the generated isethionic acid was 244g (1.94 mol) and the yield was 97%. (2) Similarly, there is another synthesis route as shown in scheme 3. The product was obtained in the same manner as above route (1), instead of bis(2-hydroxyethyl)disulfide 154 g (1.00 mol), diethyl disulfide 122 g(1.00 mol) was added, the temperature was maintained at 45 °C by flowing 19 °C cooling water at the flow rate of 140mL/minute into the condenser and the temperature was maintained at 75 °C for 2 hours. 52 weight% aqueous solution of ethanesulfonic acid was obtained as a product. The purity of the generated ethanesulfonic acid was 213 g (1.94 mol) and the yield was 97%.
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