2,4,5-Trimethylphenol

Base Information

Chemical Name:2,4,5-Trimethylphenol
CAS No.:496-78-6
Molecular Formula:C9H12 O
Molecular Weight:136.194
Hs Code.:2907199090
European Community (EC) Number:207-832-5
NSC Number:38776
UNII:3PCA9E425C
DSSTox Substance ID:DTXSID2060094
Nikkaji Number:J6.099B
Wikidata:Q27257859
Mol file:496-78-6.mol

Synonyms:2,4,5-TRIMETHYLPHENOL;496-78-6;Pseudocumenol;Phenol, 2,4,5-trimethyl-;5-Hydroxypseudocumene;1-Hydroxy-2,4,5-trimethylbenzene;EINECS 207-832-5;NSC 38776;BRN 2040904;UNII-3PCA9E425C;3PCA9E425C;NSC-38776;4-06-00-03247 (Beilstein Handbook Reference);SCHEMBL395019;DTXSID2060094;NSC38776;MFCD00020050;AKOS000275084;AS-76094;LS-105180;CS-0358957;FT-0691409;F87364;2,4,5-Trimethylphenol 100 microg/mL in Acetonitrile;Q27257859

Suppliers and Price of 2,4,5-Trimethylphenol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 37 raw suppliers

Chemical Property of 2,4,5-Trimethylphenol

Chemical Property:

Vapor Pressure:0.0398mmHg at 25°C
Melting Point:°C
Boiling Point:232°Cat760mmHg
Flash Point:102.3°C
PSA：20.23000
Density:0.996g/cm³
LogP:2.31740
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:0
Exact Mass:136.088815002
Heavy Atom Count:10
Complexity:111

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1C)O)C
General Description 2,4,5-Trimethylphenol (TMP) is a key product formed through the regioselective hydroxylation of pseudocumene (1,2,4-trimethylbenzene) catalyzed by a divanadium-substituted γ-Keggin polyoxotungstate. This reaction exhibits high chemoselectivity, with TMP being the predominant product due to steric and electronic factors influencing the electrophilic oxygen transfer mechanism. The process involves peroxo complex intermediates, and computational studies suggest that steric hindrance plays a crucial role in determining the unusual regioselectivity observed in pseudocumene hydroxylation.

Technology Process of 2,4,5-Trimethylphenol

There total 42 articles about 2,4,5-Trimethylphenol 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: 100.0%