623-13-2

Basic information

• Product Name: (4-Methylthio)toluene
• Synonyms: methyl(p-tolyl)sulfane;4-Methylphenyl methyl sulfide;Methyl p-tolyl sulfide,99%;Methyl p-tolyl sulfide,4-(Methylthio)toluene;(4-Methylthio)toluen;4-Methylthioanisole Methyl p-Tolyl Sulfide;Methyl p-tolyl sulfide 99%;Methyl p-tolyl sulfide
• CAS NO: 623-13-2
• Molecular Formula: C₈H₁₀S
• Molecular Weight: 138.23
• EINECS: 210-773-8
• Mol File: 623-13-2.mol

Chemical Properties

• Boiling Point: 52-54 °C1 mm Hg(lit.)
• Flash Point: 185 °F
• Appearance: /
• Density: 1.027 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.149mmHg at 25°C
• Refractive Index: n20/D 1.573(lit.)
• BRN: 1905733
• CAS DataBase Reference: (4-Methylthio)toluene(CAS DataBase Reference)
• NIST Chemistry Reference: (4-Methylthio)toluene(623-13-2)
• EPA Substance Registry System: (4-Methylthio)toluene(623-13-2)

Safety Data

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 24/25
• RIDADR: 3334
• WGK Germany: 3
• TSCA: T
• HazardClass: 9
• Hazardous Substances Data: 623-13-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
(4-Methylthio)toluene is used as a mediator for drug interaction in the context of polymorphic flavin-containing monooxygenase 3 in human livers. This application is significant as it aids in understanding and managing drug metabolism and interactions, ultimately contributing to the development of more effective and safer medications.
Used in Analytical Chemistry:
In the field of analytical chemistry, (4-Methylthio)toluene serves as a crucial component for analyzing peroxide in laundry detergents. The use of liquid chromatography in this process highlights the compound's role in ensuring the quality and safety of consumer products.
Used in Environmental Science:
The aerobic oxidation of (4-Methylthio)toluene, catalyzed by a heteroscorpionate Ru(II)-aqua complex, is an essential process in environmental science. This reaction helps in the degradation and detoxification of certain pollutants, contributing to a cleaner and healthier environment.
Used in Chemical Research:
The chloroperoxidase-catalyzed oxidation of (4-Methylthio)toluene is a significant area of study in chemical research. Understanding the mechanisms and outcomes of this reaction can lead to the development of new catalysts and processes, further advancing the field of chemistry and its applications.

Synthesis Reference(s)

Synthesis, p. 890, 1981 DOI: 10.1055/s-1981-29635

InChI:InChI=1/C8H10S/c1-7-3-5-8(9-2)6-4-7/h3-6H,1-2H3

Upstream product

• 75-18-3 dimethylsulfide 
• 934-72-5 Methyl p-tolyl sulfoxide 
• 60-29-7 diethyl ether 
• 2943-42-2 di(4-methyl)phenylthiosulfonate 
• 75-16-1 methylmagnesium bromide 
• 98-59-9 p-toluenesulfonyl chloride 
• 106-45-6 para-thiocresol 
• 77-78-1 dimethyl sulfate 
• 36127-91-0 <(metoxycarbonyl)(4-methylphenylsulfinyl)methylene>triphenylphosphorane 
• 51404-78-5 dimethyl-p-tolylsulfonium tetrafluoroborate 
• 1873-77-4 tris-(trimethylsilyl)silane 
• 38185-19-2 4-(methylthio)benzyl bromide 
• 100-39-0 benzyl bromide 
• 191227-59-5 C₁₉H₁₇O₂PS 

Downstream Products

• 107832-65-5 2-[(carboxymethyl)thio]-5-methylbenzoic acid 
• 82079-40-1 (S)-(2,4,6)-trimethylphenyl methyl sulfoxide 
• 20520-50-7 (R)-S-methyl-S-(4-tolyl)-N-(p-tolylsulfonyl)sulfoximine 
• 24702-26-9 (S)-S-methyl-S-(4-tolyl)-N-(p-tolylsulfonyl)sulfimide 
• 271574-46-0 p-tolyl methyl sulphide thioacetate 
• 906560-18-7 5-(4-methyl-2-methylsulfanylphenyl)-3H-furan-2-one 
• 906560-23-4 4-(4-methyl-2-methylsulfanyl-phenyl)-4-oxo-butyraldehyde 
• 5056-07-5 (S)-methyl p-tolyl sulfoxide 
• 3185-99-7 Methyl p-tolyl sulfone 
• 644-08-6 4-Methylbiphenyl 
• 91588-10-2 4-(5-methyl-2-methylsulfanyl-phenyl)-4-oxo-butyric acid 
• 3996-29-0 2-[(4-methylphenyl)thio]acetic acid 
• 934-72-5 Methyl p-tolyl sulfoxide 
• 16812-36-5 cumyloxy radical 

Relevant articles and documents

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Photocatalytic Deoxygenation of Sulfoxides Using Visible Light: Mechanistic Investigations and Synthetic Applications

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