2,5-Dimethylphenol

Base Information

• Chemical Name: 2,5-Dimethylphenol
• CAS No.: 95-87-4
• Deprecated CAS: 145929-31-3,50356-12-2
• Molecular Formula: C8H10O
• Molecular Weight: 122.167
• Hs Code.: 29071400
• European Community (EC) Number: 202-461-5
• NSC Number: 2599
• UN Number: 2261
• UNII: XH3E3564KX
• DSSTox Substance ID: DTXSID6025145
• Nikkaji Number: J43.459K
• Wikidata: Q26840762
• Metabolomics Workbench ID: 44446
• ChEMBL ID: CHEMBL192591
• Mol file: 95-87-4.mol

Synonyms:2,5-dimethylphenol

Chemical Property of 2,5-Dimethylphenol

Chemical Property:

• Appearance/Colour: White to cream colored crystals
• Vapor Pressure: 0.128mmHg at 25°C
• Melting Point: 75-77 °C
• Refractive Index: 1.54
• Boiling Point: 211.1 °C at 760 mmHg
• PKA: pK1:10.22 (25°C)
• Flash Point: 86.7 °C
• PSA: 20.23000
• Density: 1.041 g/cm³
• LogP: 2.00900
• Storage Temp.: room temp
• Solubility.: 3.54g/l slightly soluble
• Water Solubility.: 1 g/100 mL (60 ºC)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 122.073164938
• Heavy Atom Count: 9
• Complexity: 90.6
• Transport DOT Label: Poison

Purity/Quality:

99.5% ^*data from raw suppliers

2,5-Dimethylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T, N
• Hazard Codes: T,N
• Statements: 24/25-34-51/53
• Safety Statements: 26-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CC1=CC(=C(C=C1)C)O
• Description: 2, 5-dimethylphenol (also known as 2, 5-xylenol, or p-xylenol, chemical formula: (CH3)2C6H3OH.) is a chemical compound as one of the six isomers of xylenol. It is found in alcoholic beverages, coffee and whisky. It is a kind of flavoring agent belonging to the family of Ortho Cresols. One of its applications is for the synthesis of Mexilethine. It has important industrial importance, e.g. for the manufacture of antioxidants. It is also a monomer for the poly (p-phenylene oxide) engineering resins through carbon-oxygen oxidative coupling. It is traditionally extracted from the coal tar.
• Uses: Used to make phenolic resins and (in isomeric mixtures) as an antioxidant for lubricating oils, gasoline, and elastomers. Also used as perfuming agents.

Technology Process of 2,5-Dimethylphenol

There total 98 articles about 2,5-Dimethylphenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 46.0%

methanol (67-56-1) + 3-methyl-phenol (108-39-4) → 2,5-Dimethylphenol (95-87-4) + 2,3-Dimethylphenol (526-75-0) + 2,3,6-trimethylphenol (2416-94-6) + 1-methoxy-3-methyl-benzene (100-84-5)

Guidance literature:

silica gel; at 350 ℃; under 61504.9 Torr; Further Variations:; Catalysts; Pressures; Temperatures; Product distribution;

DOI:10.1002/adsc.200505191

Reference yield: 23.5%

para-xylene (106-42-3) → 2,5-Dimethylphenol (95-87-4) + 4-Methylbenzyl alcohol (589-18-4) + 1,2,4-Trimethylbenzene (95-63-6) + 4-methylethylbenzene (622-96-8) + 1,2-di-p-tolylethane (538-39-6)

Guidance literature:

With peracetic acid; at 20 - 22 ℃; Product distribution; Irradiation; λ=2537 Angstroem;

DOI:10.1021/jo01293a004

Reference yield:

2,5-dimethyl-benzenesulfonic acid ; sodium salt → 2,5-Dimethylphenol (95-87-4) + terephthalic acid (100-21-0)

Guidance literature:

at 250 - 260 ℃;

upstream raw materials:

5-methyl-2-piperidin-1-ylmethyl-phenol

ethanol

2,5-dimethyl-benzenediazonium; chloride

2-methylmethoxybenzene

Downstream raw materials:

2,5,8-trimethyl-chromen-4-one

4-nitro-benzoic acid-(2,5-dimethyl-phenyl ester)

2,5-Dimethyl-1,4-benzoquinone

6-acetoxy-3,6-dimethyl-cyclohexa-2,4-dienone