2,3,4,6-Tetramethylphenol

Base Information

• Chemical Name: 2,3,4,6-Tetramethylphenol
• CAS No.: 3238-38-8
• Deprecated CAS: 28449-98-1
• Molecular Formula: C10H14 O
• Molecular Weight: 150.221
• Hs Code.: 2907199090
• European Community (EC) Number: 221-799-4
• UNII: O8267G3UF3
• DSSTox Substance ID: DTXSID5062926
• Nikkaji Number: J38.246I
• Wikidata: Q27285458
• ChEMBL ID: CHEMBL4287899
• Mol file: 3238-38-8.mol

Synonyms:2,3,4,6-Tetramethylphenol;Phenol, 2,3,4,6-tetramethyl-;Isodurol;3238-38-8;isodurenol;UNII-O8267G3UF3;O8267G3UF3;EINECS 221-799-4;SCHEMBL394530;CHEMBL4287899;DTXSID5062926;AKOS006272177;EN300-7691564;Q27285458

Chemical Property of 2,3,4,6-Tetramethylphenol

Chemical Property:

• Vapor Pressure: 0.0251mmHg at 25°C
• Melting Point: 80.5 °C
• Boiling Point: 240°Cat760mmHg
• PKA: 11.09±0.28(Predicted)
• Flash Point: 110.8°C
• PSA: 20.23000
• Density: 0.982g/cm³
• LogP: 2.62580
• Water Solubility.: 2g/L(15 oC)
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 150.104465066
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

2,3,4,6-TETRAMETHYLPHENOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1C)C)O)C

Technology Process of 2,3,4,6-Tetramethylphenol

There total 41 articles about 2,3,4,6-Tetramethylphenol 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: 85.0%

3-(bromomethyl)-2,4,6-trimethylphenol (212835-16-0) → isodurenol (3238-38-8)

Guidance literature:

With hydrogen; sodium acetate; palladium on activated charcoal; In ethanol; acetic acid; ethyl acetate; at 20 ℃;

DOI:10.1002/(SICI)1522-2675(20000510)83:5<1022::AID-HLCA1022>3.0.CO;2-Y

Reference yield: 31.0%

2,3,5,6-tetramethylphenol (527-35-5) → isodurenol (3238-38-8) + 2,3,4,5-tetramethylphenol (488-70-0) + 1,3,4,5-Tetramethylbicyclo<3.1.0>hex-3-ene-2-one (81722-03-4)

Guidance literature:

Irradiation;

DOI:10.1021/jo00220a011

Reference yield:

methanol (67-56-1) + 3-methyl-phenol (108-39-4) → 2,5-Dimethylphenol (95-87-4) + 2,3,6-trimethylphenol (2416-94-6) + isodurenol (3238-38-8)

Guidance literature:

With water; basic magnesium carbonate; magnesium oxide; manganese oxalate; mixture of, calcined at 370 degrees C; at 370 - 500 ℃; for 359 - 596h; under 760.051 Torr; Product distribution / selectivity;

upstream raw materials:

methanol

o-toluidine hydrochloride

m-toluidine hydrochloride

2,3,4,6-tetramethylaniline

Downstream raw materials:

2,3,6-trimethylphenol

1,3,4,5-Tetramethylbicyclo<3.1.0>hex-3-ene-2-one

2,3,5,6-tetramethylphenol

(1R,5R)-1,3,4,5-Tetramethyl-bicyclo[3.1.0]hex-3-en-2-one

Refernces

• 1、 -. "Orthoalkylation catalyst for phenol and process for producing orthoalkylated phenol with use thereof". Page/Page column 7-10. . Retrieved 2008/06/13.
• 2、 Nagel, Matthias,Hansen, Hans-Juergen. "Synthesis of polyalkylphenyl prop-2-ynoates and their flash vacuum pyrolysis to polyalkylcyclohepta[b]furan-2(2H)-ones". . p. 1022 - 1048. Retrieved 2007/10/03.