527-60-6

Basic information

• Product Name: 2,4,6-Trimethylphenol
• Synonyms: MESITOL;HYDROXYMESITYLENE;2,4,6-TRIMETHYLPHENOL;1,3,5-trimethylphenol;1-Hydroxy-2,4,6-trimethylbenzene;2,4,6-trimethylofenol(polish);2,4,6-trimethyl-pheno;2,4,6-Trimetylofenol
• CAS NO: 527-60-6
• Molecular Formula: C₉H₁₂O
• Molecular Weight: 136.19
• EINECS: 208-419-2
• Product Categories: Aromatic Phenols;Building Blocks;C9 to C20+;Chemical Synthesis;Organic Building Blocks;Oxygen Compounds;Phenols
• Mol File: 527-60-6.mol
• Article Data: 147

Chemical Properties

• Melting Point: 70-72 °C(lit.)
• Boiling Point: 220 °C(lit.)
• Flash Point: 220-221°C
• Appearance: Beige/Crystalline Needles
• Density: 0.9809 (estimate)
• Vapor Pressure: 0.0988mmHg at 25°C
• Refractive Index: 1.5148 (estimate)
• Storage Temp.: room temp
• PKA: pK1:10.88 (25°C)
• Water Solubility: 1.008g/L(25 oC)
• BRN: 1859675
• CAS DataBase Reference: 2,4,6-Trimethylphenol(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4,6-Trimethylphenol(527-60-6)
• EPA Substance Registry System: 2,4,6-Trimethylphenol(527-60-6)

Safety Data

• Hazard Codes: C,N
• Statements: 34-51/53
• Safety Statements: 26-36/37/39-45-24/25-61
• RIDADR: UN 2430 8/PG 3
• WGK Germany: 2
• RTECS: OX6590000
• TSCA: Yes
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 527-60-6(Hazardous Substances Data)

Usage

Chemical Properties

BEIGE CRYSTALLINE NEEDLES

Synthesis Reference(s)

Journal of the American Chemical Society, 107, p. 1060, 1985 DOI: 10.1021/ja00290a053Synthetic Communications, 18, p. 1207, 1988 DOI: 10.1080/00397918808060912

Flammability and Explosibility

Notclassified

Purification Methods

Crystallise the phenol from water and sublime it in vacuo. [Beilstein 6 IV 3253.]

InChI:InChI=1/C9H12O/c1-6-4-7(2)9(10)8(3)5-6/h4-5,10H,1-3H3

Upstream product

• 67-56-1 methanol 
• 540-23-8 p-toluidine hydrochloride 
• 636-21-5 o-toluidine hydrochloride 
• 6334-11-8 2,4,6-trimethylaniline hydrochloric acid salt 
• 91-04-3 2,6-bis(hydroxymethyl)-4-methylphenol 
• 7451-94-7 4,6-bis(hydroxymethyl)-2-methylphenol 
• 67-66-3 chloroform 
• 17024-58-7 (E)-2,4,6-trimethylstilbene 
• 17024-57-6 2,4,6,2',4',6'-hexamethyl-trans-stilbene 
• 4397-13-1 2-hydroxymethyl-4,6-dimethylphenol 
• 4397-14-2 4-(hydroxymethyl)-2,6-dimethylphenol 
• 69084-00-0 2-(N,N-diethylaminomethyl)-4,6-dimethylphenol 
• 28193-65-9 2-chloromethyl-4,6-dimethyl-phenol 
• 55136-97-5 2,4-dimethyl-6-(piperidine-1-yl-methyl)phenol 

Downstream Products

• 859783-74-7 2,6-dimethyl-4-(2,2,2-trichloro-ethyl)-phenol 
• 99187-90-3 3-chloromethyl-2,4,6-trimethyl-phenol 
• 115498-94-7 2,4,6,2',4',6'-hexamethyl-3,3'-methanediyl-di-phenol 
• 6476-26-2 4,4’-(ethane-1,2-diyl)bis(2,6-dimethylphenol) 
• 4906-82-5 6-acetoxy-2,4,6-trimethyl-cyclohexa-2,4-dienone 
• 5450-46-4 1,3,5-trimethyl-2-[(prop-2'-en-1'-yl)oxy]benzene 
• 54812-20-3 4-Acetoxymethyl-2,6-dimethyl-phenol 
• 57894-26-5 2,4,6-trimethyl-3-bromophenol 
• 2233-18-3 4-hydroxy-3,5-dimethylbenzaldehyde 
• 16404-66-3 4-hydroxy-2,4,6-trimethyl-cyclohexa-2,5-dienone 
• 1667-04-5 2-bromomesitylene 
• 4397-14-2 4-(hydroxymethyl)-2,6-dimethylphenol 
• 54537-89-2 2,4,6-trimethylphenol-4-dichloromethyl-2,5-cyclohexadienone 
• 54537-88-1 6-Dichlormethyl-2,4,6-trimethyl-2,4-cyclohexadien-1-on 

Relevant articles and documents

Enhanced Photodecarboxylation of an Aryl Ester in Polyethylene Films

(Matrix presented) Photodecarboxylation is the exclusive photoreaction of 2,4,6-trimethylphenyl (S)-2-methylbutanoate In unstretched high-density polyethylene films. The sole product, (S)-1-(2-methylpropyl)-2,4,6- trimethylbenzene, is formed with complete

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Iodine promoted reduction of aromatic carbonyl compounds with phosphonic acid to access hydrocarbons

A novel method for selective reduction of aromatic carbonyl compounds by phosphorus acid under metal-free conditions is achieved to produce the corresponding reduced products in good to excellent yields. By using H3PO3/I2 system, various aromatic ketones and aldehydes could be reduced to the corresponding hydrocarbons. Diketone compounds could also be reduced to the corresponding Z-alkenes. The protocol is low-cost and easily scaled up, which provides a simple and practical approach to access corresponding hydrocarbons.

Selective hydroxylation of aryl iodides to produce phenols under mild conditions using a supported copper catalyst

Owing to the high activity and low-cost, copper-based catalysts are promising candidates for transforming aromatic halides to yield phenols. In this work, we report the selective hydroxylation of aromatic iodides to produce phenols using an atomically dispersed copper catalyst (Cu-ZnO-ZrO2) under mild reaction conditions. The reactions were conducted without the use of additional organic ligands, and the protection of an inert atmosphere environment is not required. The catalyst can be easily prepared, scalable, and is very efficient for a wide range of substrates. The catalytic reactions can be carried out with only 1.24 mol% Cu loading, which shows great potential in mass production.