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Methylmethylthiomethylsulfoxid
(Methylthio)dimethyl sulfoxide · (Methylsulfinyl)(methylthio)methane · formaldehyde dimethyl thioacetal monoxide · MMTS · FAMSO · (Methylsulfinyl · (methylsulfinyl)(methylthio)-methan · methyl(methylsulfinylmethyl)sulfane
Identifikatoren & physikalische Daten
| CAS No. | 33577-16-1 |
|---|---|
| Summenformel | C3H8OS2 |
| Durchschnittliche Molmasse | 124,23 g/mol |
| Monoisotopische Masse | 124,00165722 g/mol |
| SMILES | CSCS(C)=O |
| InChIKey | OTKFCIVOVKCFHR-UHFFFAOYSA-N |
| PubChem CID | 99129 |
| ChEBI | CHEBI:167080 |
| EC No. | 251-577-2 |
| DTXSID | DTXSID00865676 |
| Lokaler Name | Methylmethylthiomethylsulfoxid |
Chemische & physikalische Eigenschaften
| XLogP | 0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 61,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 52 |
| Kovats Retention Index | 1182.8 |
| Schmelzpunkt | 222-226°C |
| Siedepunkt | 92 °C (2 mmHg) |
| Dichte | 1.22 |
| Brechungsindex | 1.548-1.558 |
| Flammpunkt | >110°C |
| Lagerbedingungen | 2-8°C, stored under nitrogen |
| Löslichkeit | Soluble in acetic acid, alcohol, THF, CS2, CCl4, CHCl3, acetone, benzene, and DMSOslightly soluble in cyclohexane and hexane. |
| pKa (Säurekonstante) | (DMSO) 29.0. |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| Wichte | 1.22 |
| BRN | 906789 |
| InChIKey | OTKFCIVOVKCFHR-UHFFFAOYSA-N |
| LogP (Verteilungskoeffizient) | -0.479 (est) |
| CAS Datenbank | 33577-16-1(CAS DataBase Reference) |
| NIST chemische Informationen | Methane, (methylsulfinyl)(methylthio)-(33577-16-1) |
| EPA chemische Informationen | Methane, (methylsulfinyl)(methylthio)- (33577-16-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Methane, (methylsulfinyl)(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3334 |
| Zollcode | 29309070 |
| R-Sätze (R) | 36/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26-24/25-23 |
Anwendungen & Verwendung
Verwenden
(Methylthio)dimethyl sulfoxide is a essential oil from fruit of Gallesia integrifolia exhibit antifungal activity against Aspergillus fumigatus, Aspergillus niger and Aspergillus ochraceus.