HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl-p-tolylsulfid
methyl(p-tolyl)sulfane · METHYL P-TOLYL SULFIDE · 4-METHYLTHIOANISOLE · (4-Methylthio)toluen · 4-(METHYLTHIO)TOLUENE · p-(Methylthio)toluene · p-Tolyl methyl sulfide · Methyl p-cresyl sulfide
Identifikatoren & physikalische Daten
| CAS No. | 623-13-2 |
|---|---|
| Summenformel | C8H10S |
| Durchschnittliche Molmasse | 138,23 g/mol |
| Monoisotopische Masse | 138,05032132 g/mol |
| SMILES | CSc1ccc(C)cc1 |
| InChIKey | VHILIAIEEYLJNA-UHFFFAOYSA-N |
| PubChem CID | 69334 |
| ChEBI | CHEBI:134483 |
| EC No. | 210-773-8 |
| DTXSID | DTXSID6060765 |
| Lokaler Name | Methyl-p-tolylsulfid |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 72,6 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | 3.01 |
| Siedepunkt | 52-54 °C1 mm Hg(lit.) |
| Dichte | 1.027 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.573(lit.) |
| Flammpunkt | 185 °F |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Wichte | 1.027 |
| BRN | 1905733 |
| InChI | 1S/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3 |
| InChIKey | VHILIAIEEYLJNA-UHFFFAOYSA-N |
| SMILES | CSc1ccc(C)cc1 |
| LogP (Verteilungskoeffizient) | 3.130 |
| CAS Datenbank | 623-13-2(CAS DataBase Reference) |
| NIST chemische Informationen | Benzene, 1-methyl-4-(methylthio)-(623-13-2) |
| EPA chemische Informationen | Benzene, 1-methyl-4-(methylthio)- (623-13-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3334 |
| Zollcode | 29309090 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | 9Acute Tox. 4 Oral |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Methyl p-Tolyl Sulfide (CAS# 623-13-2) can be used as a potential for drug interaction mediation by polymorphic flavin-containing monooxygenase 3 in human livers. It can also be used to analyze peroxide in laundry detergents using liquid chromatography.