Dimethyl Sulfone
MSM · METHYL SULFONYL METHANE · METHYL SULFONE · DMSO2 · (CH3)2SO2 · Dimethylsulfon · MethylSulfonylMethane(Msm) · DIMETHYL SULPHONE
Identifiers & Physical Properties
| CAS No. | 67-71-0 |
|---|---|
| Molecular formula | C2H6O2S |
| Average molar mass | 94.14 g/mol |
| Monoisotopic mass | 94.00885043 g/mol |
| SMILES | CS(C)(=O)=O |
| InChIKey | HHVIBTZHLRERCL-UHFFFAOYSA-N |
| PubChem CID | 6213 |
| ChEMBL | CHEMBL25028 |
| ChEBI | CHEBI:9349 |
| EC No. | 200-665-9 |
| DTXSID | DTXSID4043937 |
Chemical & Physical Properties
| XLogP | -0.4 |
|---|---|
| Topological polar surface area | 42.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 0 |
| Heavy atoms | 5 |
| Formal charge | 0 |
| Complexity | 85.3 |
| Chemical classes | Other Classes -> Sulfur Compounds |
| Drugs | Pharmaceuticals -> Listed in ZINC15 |
| Cosmetics | Solvent |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (partition coefficient) | -1.41 |
| Density | 1.1700 @ 10°C1,16 g/cm3 |
| Dietary Ingredients | Methylsulfonylmethane (MSM) |
| Human Drugs | Breast FeedingLactationMilk, HumanAnti-Inflammatory Agents |
| Boiling point | 237.00 to 239.00 °C. @ 760.00 mm Hg238 °C @760 [mm Hg]238 °C (lit.) |
| Melting point | 109 °C107-109 °C (lit.) |
| Vapor pressure | 5.15 [mmHg] |
| Physical Description | Dry PowderSolid[Merck Index] White crystalline powderOdorless[Alfa Aesar MSDS] |
| Bulk density | 880kg/m3 |
| Refractive index | 1.4226 |
| Flash point | 290 °F |
| Storage conditions | Store below +30°C. |
| Solubility | 150g/l150 g/L (20 ºC) |
| pKa (acidity coefficient) | 28(at 25℃) |
| Physical state | Crystals or Crystalline Powder |
| Color | White |
| Odor | at 1.00%. sulfurous burnt |
| Specific heat capacity | Cp(gas): 1.06 J/(g·K), at 25℃ |
| Merck | 14,3258 |
| BRN | 1737717 |
| Henry's law constant | 5.0×10-3 mol/(m3Pa) at 25℃, Mackay et al. (2006) |
| Stability | Stable. Combustible. Incompatible with strong oxidizing agents. |
| Cosmetics Ingredients Functions | SOLVENTVISCOSITY CONTROLLING |
| InChI | 1S/C2H6O2S/c1-5(2,3)4/h1-2H3 |
| InChIKey | HHVIBTZHLRERCL-UHFFFAOYSA-N |
| SMILES | CS(C)(=O)=O |
| LogP (partition coefficient) | -1.074 (est) |
| CAS DataBase Reference | 67-71-0(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 9H4PO4Z4FT |
| NIST Chemistry Reference | Dimethyl sulfone(67-71-0) |
| EPA Substance Registry System | Dimethyl sulfone (67-71-0) |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302 |
| GHS precautionary statements | P501-P270-P264-P301+P312+P330 |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Safety statements (S) | 22-24/25 |
| Water hazard class (WGK) | 1 |
| RTECS number | PB2785000 |
| TSCA inventory status | TSCA listed |
| Customs code | 29309070 |
| Storage class | 11 - Combustible Solids |
| Toxicity | LD50 orally in Rabbit: 17000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 96.1% (122 of 127) of all reports.Not ClassifiedAggregated GHS information provided per 127 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatory information | Chemical: Methane, sulfonylbis-Methane, 1,1'-sulfonylbis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Methane, 1,1'-sulfonylbis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 04-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/17580Dimethyl sulfone: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | No evidence of teratogenicity in rats[REPROTOX] Not a skin irritantMay cause eye irritation[Alfa Aesar MSDS] See Dimethyl sulfoxide. See Dipropyl sulfone. |
| Hazard Classes and Categories | Not Classified |
| Protective Action Criteria (PAC) | 15 [mg/m3]170 [mg/m3]990 [mg/m3] |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| Personal protective equipment (PPE) | Eyeshields, Gloves, type N95 (US) |
| Water hazard class (WGK) | 1 |
| TSCA inventory status | TSCA listed |
| RTECS number | PB2785000 |
| Customs code | 29309070 |
| Toxicity | LD50 orally in Rabbit: 17000 mg/kg LD50 dermal Rabbit > 5000 mg/kg |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Safety statements (S) | 22-24/25 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302 |
| REACH registrations | Active |
| GHS precautionary statements | P501-P270-P264-P301+P312+P330 |
Applications & Uses
Uses
Use as high temperature solvent inorganic and organic substances, organic chemical raw materials, food additives and health products raw materials, also used as gas chromatography stationary phase (maximum use temperature 30 ℃, acetone as solvent) and analytical reagents.
Uses
Dimethyl sulfone is used as a high-temperature solvent for both inorganic and organic substances. It acts as an intermediate as well as medium in organic synthesis. It plays an important role as a carbon source by the airborne bacteria Afipia. It is also employed as an extraction solvent for the separation of aromatic compounds like benzene, toluene and xylenes from aliphatic hydrocarbons. Further, it is used in the polymerization process. It finds application in pharmaceuticals, agrochemicals, paint and coating materials.
Uses
Dimethyl sulfone is a high tempereture solvent for many inorganic and organic substances,it is used as antiinflammatory, antiproliferative, antiparasitic.