68121-46-0

Basic information

• Product Name: 3,5-DICHLOROTHIOANISOLE
• Synonyms: 1,3-DICHLORO-5-(METHYLTHIO)BENZENE;3,5-DICHLOROTHIOANISOLE;3,5-dichlorophenylmethylsulfide;(3,5-dichlorophenyl)(methyl)sulfane;1,3-dichloro-5-methylsulfanylbenzene;1,3-dichloro-5-methylsulfanyl-benzene;3,5-DICHLOROTHIOANIS
• CAS NO: 68121-46-0
• Molecular Formula: C₇H₆Cl₂S
• Molecular Weight: 193.09
• Product Categories: Organic Building Blocks;Sulfides/Disulfides;Sulfur Compounds
• Mol File: 68121-46-0.mol
• Article Data: 5

Chemical Properties

• Melting Point: 170-171 °C(Solv: benzene (71-43-2))
• Boiling Point: 262-263 °C(lit.)
• Flash Point: >230 °F
• Appearance: /
• Density: 1.349 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.0365mmHg at 25°C
• Refractive Index: n20/D 1.613(lit.)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3,5-DICHLOROTHIOANISOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-DICHLOROTHIOANISOLE(68121-46-0)
• EPA Substance Registry System: 3,5-DICHLOROTHIOANISOLE(68121-46-0)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• WGK Germany: 3
• HazardClass: IRRITANT, STENCH
• Hazardous Substances Data: 68121-46-0(Hazardous Substances Data)

Usage

General Description

3,5-Dichlorothioanisole is a chemical compound with the molecular formula C7H6Cl2OS. It is a derivative of thioanisole and is commonly used as a flavoring agent and fragrance in various products such as perfumes, soaps, and cosmetics. It has a strong, musty odor and is often described as a moldy or mildew-like smell. 3,5-Dichlorothioanisole is known for its ability to taint the aroma and flavor of wines, leading to a musty, cork-like off-flavor commonly referred to as "cork taint." It is often produced as a byproduct of microbial degradation of chlorophenols and can be a source of environmental contamination. Due to its potent odor and potential for tainting food and beverages, efforts are made to minimize its presence in consumer products.

InChI:InChI=1/C7H6Cl2S/c1-10-7-3-5(8)2-6(9)4-7/h2-4H,1H3

Upstream product

• 108-70-3 1,3,5-trichlorobenzene 
• 3115-68-2 tetrabutyl phosphonium bromide 
• 38452-22-1 1,3-dichloro-5-(methylsulfinyl)benzene 
• 624-92-0 Dimethyldisulphide 
• 3032-81-3 3,5-dichloroiodobenzene 
• 3908-55-2 Trimethyl(methylthio)silane 
• 618-62-2 3,5-dichloro-1-nitrobenzene 
• 626-43-7 3,5-Dichloroaniline 
• 74-88-4 methyl iodide 

Downstream Products

• 22821-89-2 1,3-dichloro-5-(methylsulfonyl)benzene 
• 38452-22-1 1,3-dichloro-5-(methylsulfinyl)benzene 
• 3313-76-6 1,3-dichloro-5-thiocyanatobenzene 
• 616196-04-4 2,6-dichloro-4-(methylthio)benzaldehyde 
• 38452-22-1 1,3-dichloro-5-(methylsulfinyl)benzene 

Relevant articles and documents

Copper-Catalyzed Methylthiolation of Aryl Iodides and Bromides with Dimethyl Disulfide in Water

An efficient route to aryl methyl sulfides through the copper-catalyzed coupling reaction of aryl iodides or bromides with dimethyl disulfide in water is described. Electron-donating and electron-withdrawing functional groups in the substrates were tolerated, and the corresponding products were obtained in moderate to good yields.

Efficient synthesis of aryl methyl sulfide derivatives using (methylthio)trimethylsilane as methylthiolation reagent

The synthesis of various aryl methyl sulfides has been achieved by treatment of nitroarenes with a combination of (methylthio)trimethylsilane and cesium carbonate in dimethylsulfoxide. This reaction gives access to aryl methyl sulfide derivatives in high yields. Copyright

Nonaqueous diazotization of arylamines in the presence of dimethyldisulfide; the convenient synthesis of arylmethylsulfides from anilines

Modest to good isolated yields of arylmethylsulfides are obtained by the reaction of anilines with alkylnitrite under nonaqueous conditions in the presence of 0.5 molar equivalents of dimethyldisulfide.