3,4,5-TRIMETHYLBENZOIC ACID

Base Information

• Chemical Name: 3,4,5-TRIMETHYLBENZOIC ACID
• CAS No.: 1076-88-6
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• Mol file: 1076-88-6.mol

Synonyms:3,4,5-Trimethylbenzoicacid; a-Isodurylic acid

Chemical Property of 3,4,5-TRIMETHYLBENZOIC ACID

Chemical Property:

• Vapor Pressure: 0.000217mmHg at 25°C
• Melting Point: 105.65°C (estimate)
• Refractive Index: 1.5198 (estimate)
• Boiling Point: 313°Cat760mmHg
• PKA: 4.51±0.10(Predicted)
• Flash Point: 144.5°C
• PSA: 37.30000
• Density: 1.088g/cm³
• LogP: 2.31000
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

3,4,5-Trimethylbenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3,4,5-TRIMETHYLBENZOIC ACID

There total 24 articles about 3,4,5-TRIMETHYLBENZOIC ACID 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: 64.0%

3,4,5-trimethylacetophenone (2047-21-4) → 3,4,5-trimethylbenzoic acid (1076-88-6)

Guidance literature:

With sodium hydroxide; bromine;

DOI:10.1016/S0040-4020(01)96389-6

Reference yield: 4.0%

1,2,3,5-Tetramethylbenzene (527-53-7) → 2,3,4,6-tetramethyl-1-nitrobenzene (42887-63-8) + 3,4,5-trimethylbenzoic acid (1076-88-6) + 3,4,5-trimethylbenzaldehyde (5779-74-8) + 3,4,5-trimethylphenylnitromethane (60367-98-8)

Guidance literature:

With nitric acid; In dichloromethane; at -5 - 20 ℃; for 1h; Further byproducts given;

Reference yield: 4.0%

1,2,3,5-Tetramethylbenzene (527-53-7) → 3,4,5-trimethylbenzoic acid (1076-88-6) + 3,4,5-trimethylbenzaldehyde (5779-74-8) + 3,4,5-trimethylphenylnitromethane (60367-98-8)

Guidance literature:

With nitric acid; In dichloromethane; at 5 - 20 ℃; for 1h; Mechanism; other aromatic compounds, other nitrating agent;

upstream raw materials:

1,2,3,5-Tetramethylbenzene

3,4,5-trimethylbenzonitrile

3,4,5-trimethylacetophenone

3,5-bis-chloromethyl-4-methyl-benzoic acid ethyl ester

Downstream raw materials:

5-carbomethoxy-1,2,3-trimethylbenzene

3,4,5-trimethyl-benzoyl chloride

3,4,5-trimethylbenzyl alcohol

3,5-dimethyl-4-<(trimethylsilyl)methyl>benzoic acid