2,3,4-Trimethylphenol

Base Information

• Chemical Name: 2,3,4-Trimethylphenol
• CAS No.: 526-85-2
• Molecular Formula: C9H12 O
• Molecular Weight: 136.194
• Hs Code.: 2907199090
• European Community (EC) Number: 208-399-5,248-158-1
• UNII: 9295A0BC1N
• DSSTox Substance ID: DTXSID80865331
• Nikkaji Number: J116.742A
• Wikidata: Q27271486
• Mol file: 526-85-2.mol

Synonyms:2,3,4-Trimethylphenol;Trimethylphenol;526-85-2;Phenol, 2,3,4-trimethyl-;Phenol, trimethyl-;UNII-9295A0BC1N;26998-80-1;9295A0BC1N;EINECS 208-399-5;EINECS 248-158-1;SCHEMBL207038;2,3,4-HEMIMELLITENOL;DTXSID80865331;1-HYDROXY-2,3,4-TRIMETHYLBENZENE;4-HYDROXY-1,2,3-TRIMETHYLBENZENE;Q27271486

Chemical Property of 2,3,4-Trimethylphenol

Chemical Property:

• Vapor Pressure: 0.0339mmHg at 25°C
• Melting Point: 81°C
• Refractive Index: 1.5114 (estimate)
• Boiling Point: 234.8°Cat760mmHg
• PKA: pK1:10.59 (25°C)
• Flash Point: 105.3°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:

98%min ^*data from raw suppliers

2,3,4-Trimethylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CC1=C(C(=C(C=C1)O)C)C

Technology Process of 2,3,4-Trimethylphenol

There total 19 articles about 2,3,4-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: 80.0%

methanol (67-56-1) + 2,3-Dimethylphenol (526-75-0) → 2,3,6-trimethylphenol (2416-94-6) + 2,3,4-trimethylphenol (526-85-2) + 2,3,5-trimethylphenol (697-82-5)

Guidance literature:

Pd-containing mordenite; at 350 ℃;

DOI:10.1007/s11167-005-0370-4

Reference yield: 45.0%

methanol (67-56-1) + 3,4-Dimethylphenol (95-65-8) → 3,4,5-trimethylphenol (527-54-8) + 2,4,5-trimethylphenol (496-78-6) + 2,3,4-trimethylphenol (526-85-2)

Guidance literature:

Pd-containing mordenite; at 350 ℃;

DOI:10.1007/s11167-005-0370-4

Reference yield: 3.9%

methanol (67-56-1) + ortho-cresol (95-48-7,77504-84-8) → 2.6-dimethylphenol (576-26-1,25134-01-4) + 2-methylmethoxybenzene (578-58-5) + Mesitol (527-60-6) + 2,3,4-trimethylphenol (526-85-2)

Guidance literature:

Ni-H-mordenite; at 360 ℃; Product distribution; Kinetics; also other temperatures and per-volume feed rate of the raw material;

upstream raw materials:

2,3,4-trimethyl-benzenesulfonic acid

2,3,4-trimethylanisole

pyridine hydrochloride

2,3,4-trimethyltricyclohex-2-en-1-one

Downstream raw materials:

(2,3,4-trimethyl-phenoxy)-acetic acid

2-(2-Hydroxy-3,4,5-trimethylphenyl)-2-propanol

1-(2-Hydroxy-3,4,5-trimethylphenyl)-1-phenylethanol

2,3,4-trimethylanisole