551-76-8

Basic information

• Product Name: 2,4,6-trichloro-m-cresol
• Synonyms: 2,4,6-trichloro-m-cresol
• CAS NO: 551-76-8
• Molecular Formula: C₇H₅Cl₃O
• Molecular Weight: 211.47
• Mol File: 551-76-8.mol
• Article Data: 1

Chemical Properties

• Melting Point: 46°C
• Boiling Point: 303.65°C (rough estimate)
• Flash Point: 115.2°C
• Appearance: /
• Density: 1.4907 (rough estimate)
• Refractive Index: 1.5510 (estimate)
• PKA: 6.71±0.28(Predicted)
• Water Solubility: 112.1mg/L(25 oC)
• CAS DataBase Reference: 2,4,6-trichloro-m-cresol(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-trichloro-m-cresol(551-76-8)
• EPA Substance Registry System: 2,4,6-trichloro-m-cresol(551-76-8)

Safety Data

• Hazardous Substances Data: 551-76-8(Hazardous Substances Data)

Usage

Appearance

White to off-white crystalline solid

Uses

Antifungal and antibacterial agent in personal care products (e.g. soaps, deodorants, mouthwashes) and preservative in industrial and household products

Microbiological effectiveness

Effective in controlling the growth of bacteria and fungi

Toxicity

Moderately toxic and can pose potential health risks if not used properly

Upstream product

• 13481-70-4 3-methyl-2,6-dichlorophenol 
• 17788-00-0 2,4-dichloro-3-methylphenol 
• 1124-07-8 4,6-dichloro-3-methylphenol 
• 108-39-4 3-methyl-phenol 
• 67-66-3 chloroform 
• 7782-50-5 chlorine 
• 56-23-5 tetrachloromethane 
• 7732-18-5 water 
• 89-83-8 thymol 
• 7664-93-9 sulfuric acid 
• 422566-71-0 4,6-dichlorothymol 
• 59-50-7 4-Chloro-3-methylphenol 
• 615-74-7 2-chloro-5-methylphenol 
• 60268-17-9 4.6-diamino-m-cresol 

Downstream Products

• 7443-55-2 rac-trans-3-methylcyclohexanol 
• 5454-79-5 cis-3-methylcyclohexanol 
• 108-39-4 3-methyl-phenol 
• 40100-98-9 2,6-dichloro-3-methyl-1,4-benzoquinone 
• 60963-33-9 3,5-Dichloro-4-(2,4,6-trichloro-3-methyl-phenoxy)-phenylamine 
• 89640-21-1 3,5-dichloro-2-methyl-hydroquinone 
• 467238-63-7 2-(3'-methyl-2',4',6'-trichlorophenoxy)-4,4-dimethoxy-5-methyl-6-chlorocyclohexadien-2,5-one 
• 13821-80-2 2,2,4,5,6,6-hexachloro-3-methyl-cyclohex-3-enone 
• 60963-06-6 1,3,5-Trichloro-2-(2,6-dichloro-4-nitro-phenoxy)-4-methyl-benzene 
• 37693-15-5 2,6-dichloro-3-methyl-4-nitrophenol 

Relevant articles and documents

Formation of dimer-type ketals in the reaction of 2,4,6-trichlorophenol and 2,4,6-trichloro-m-cresol with calcium hypochlorite in methanol: Conversion to quinones and other compounds

2,4,6-Trichlorophenol (2) and 2,4,6-trichloro-m-cresol (5) react with calcium hypochlorite (Ca(OCl)2) in MeOH to give respectively dimer-type ketals 2-(2′,4′,6′-trichlorophenoxy)-4,4-dimethoxy-6 -chlorocyclohexadien-2,5-one (6) and 2-(3′-methyl-2′,4′,6′-trichlorophenoxy)-4, 4-di-methoxy-5-methyl-6-chlorocyclohexadien-2,5-one (7). Ketal 6, which was too unstable to be isolated, and 7 hydrolyzed in H2O/HCl to 2-(2′,4′,6′-trichlorophenoxy)-6-chloro-1,4-ben-zoquinone (8) and 2-(3′-methyl-2′,4′,6′-trichlorophenoxy)-5 -methyl-6-chloro-1,4-benzoquinone (9), respectively. Ketal 6 and quinone 8 were also produced when 2 and Ca(OCl)2 reacted in DMF, followed by addition of MeOH and H2O, respectively. The mechanisms of these reactions are examined. Conversion of the ketals and quinones to other products is described.