4-Hydroxy-5-isopropyl-2-methylbenzoic acid

Base Information

• Chemical Name: 4-Hydroxy-5-isopropyl-2-methylbenzoic acid
• CAS No.: 584-44-1
• Molecular Formula: C₁₁H₁₄O₃
• Molecular Weight: 194.23
• DSSTox Substance ID: DTXSID20207110
• Nikkaji Number: J6.731H
• Wikidata: Q83081001
• Mol file: 584-44-1.mol

Synonyms:p-CYMENE-2-CARBOXYLIC ACID,5-HYDROXY;p-Thymotinic acid;Benzoic acid, 4-hydroxy-2-methyl-5-(1-methylethyl)-;2-Methyl-4-hydroxy-5-isopropylbenzoic acid;p-Thymotic acid;5-Hydroxy-p-cymene-2-carboxylic acid;

Chemical Property of 4-Hydroxy-5-isopropyl-2-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 2.57E-05mmHg at 25°C
• Boiling Point: 344.1°Cat760mmHg
• Flash Point: 176.1°C
• PSA: 57.53000
• Density: 1.164g/cm³
• LogP: 2.52220
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 213

Purity/Quality:

99% ^*data from raw suppliers

4-Hydroxy-2-methyl-5-(propan-2-yl)benzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Hydroxy-5-isopropyl-2-methylbenzoic acid

There total 11 articles about 4-Hydroxy-5-isopropyl-2-methylbenzoic 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: 6.0%

tetrachloromethane (56-23-5) + thymol (89-83-8) → p-thymotic acid (584-44-1)

Guidance literature:

With sodium hydroxide; copper; at 80 ℃; for 5h;

Reference yield:

thymol (89-83-8) → p-thymotic acid (584-44-1)

Guidance literature:

With tetrachloromethane; sodium hydroxide; water; at 100 ℃; im geschlossenen Rohr;

Reference yield:

→ p-thymotic acid (584-44-1)

Guidance literature:

bei der Kalischmelze;

upstream raw materials:

thymol

4-acetyl-2-isopropyl-5-methylphenol

5-methyl-2-isopropyl-4-cyanophenol

4-hydroxy-5-isopropyl-2-methyl-benzophenone

Downstream raw materials:

5-isopropyl-4-methoxy-2-methyl-benzoic acid

4-(3,5-dinitro-benzoyloxy)-5-isopropyl-2-methyl-benzoic acid

4-carboxymethoxy-5-isopropyl-2-methyl-benzoic acid

4-acetoxy-5-isopropyl-2-methyl-benzoic acid