2-Methyl-5-sec-butylsalicylic acid

Base Information

• Chemical Name: 2-Methyl-5-sec-butylsalicylic acid
• CAS No.: 20717-16-2
• Molecular Formula: C12H16O3
• Molecular Weight: 208.2536
• DSSTox Substance ID: DTXSID90942925
• Mol file: 20717-16-2.mol

Synonyms:2-Methyl-5-sec-butylsalicylic acid;20717-16-2;BRN 2839433;3-sec-Butyl-2,6-cresotic acid;2,6-CRESOTIC ACID, 3-sec-BUTYL-;3-butan-2-yl-2-hydroxy-6-methylbenzoic acid;Benzoic acid, 2-hydroxy-6-methyl-3-(1-methylpropyl)-;DTXSID90942925;LS-55456;3-(Butan-2-yl)-2-hydroxy-6-methylbenzoic acid

Chemical Property of 2-Methyl-5-sec-butylsalicylic acid

Chemical Property:

• Vapor Pressure: 6.5E-05mmHg at 25°C
• Boiling Point: 330.8°C at 760 mmHg
• Flash Point: 168.1°C
• Density: 1.136g/cm³
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 208.109944368
• Heavy Atom Count: 15
• Complexity: 227

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1=C(C(=C(C=C1)C)C(=O)O)O

Technology Process of 2-Methyl-5-sec-butylsalicylic acid

There total 4 articles about 2-Methyl-5-sec-butylsalicylic 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: 58.0%

carbon dioxide (124-38-9,18923-20-1) + 2-sec-butyl-5-methylphenol (29472-95-5) → 3-(2-butyl)-6-methylsalicylic acid (20717-16-2)

Guidance literature:

With sodium;

DOI:10.1021/ja00031a075

Reference yield:

4'-hydroxy-2'-methylacetophenone (6921-64-8) → 3-(2-butyl)-6-methylsalicylic acid (20717-16-2)

Guidance literature:

Multi-step reaction with 3 steps

1: 83 percent

2: 83 percent / H₂

3: 58 percent / Na

With hydrogen; sodium;

DOI:10.1021/ja00031a075

Reference yield:

3-acetoxytoluene (122-46-3) → 3-(2-butyl)-6-methylsalicylic acid (20717-16-2)

Guidance literature:

Multi-step reaction with 4 steps

1: 78 percent / AlCl₃

2: 83 percent

3: 83 percent / H₂

4: 58 percent / Na

With aluminium trichloride; hydrogen; sodium;

DOI:10.1021/ja00031a075

upstream raw materials:

carbon dioxide

2-sec-butyl-5-methylphenol

4'-hydroxy-2'-methylacetophenone

3-acetoxytoluene

Downstream raw materials:

3-sec-Butyl-2-hydroxy-5-iodo-6-methyl-benzoic acid

3-Bromo-5-sec-butyl-6-hydroxy-2-methyl-benzoic acid

Refernces