p-CYMENE-2-CARBOXYLIC ACID

Base Information

• Chemical Name: p-CYMENE-2-CARBOXYLIC ACID
• CAS No.: 3754-72-1
• Molecular Formula: C11H14O2
• Molecular Weight: 178.231
• DSSTox Substance ID: DTXSID10190981
• Nikkaji Number: J85.284H
• Wikidata: Q83063453
• Mol file: 3754-72-1.mol

Synonyms:p-CYMENE-2-CARBOXYLIC ACID;5-isopropyl-2-methylbenzoic acid;3754-72-1;5-Isopropyl-o-toluic acid;BRN 2088427;2-methyl-5-propan-2-ylbenzoic acid;2-methyl-5-(propan-2-yl)benzoic acid;3-09-00-02531 (Beilstein Handbook Reference);SCHEMBL14132618;DTXSID10190981;GS2890;AKOS014644611;LS-58896;CS-0245637;EN300-3077215;A1-35165;Z1259111969

Chemical Property of p-CYMENE-2-CARBOXYLIC ACID

Chemical Property:

• Vapor Pressure: 0.000982mmHg at 25°C
• Boiling Point: 290°Cat760mmHg
• Flash Point: 137.6°C
• Density: 1.058g/cm³
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 187

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(C)C)C(=O)O

Technology Process of p-CYMENE-2-CARBOXYLIC ACID

There total 11 articles about p-CYMENE-2-CARBOXYLIC 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:

5-isopropyl-2,4'-dimethyl-benzophenone → 5-isopropyl-2-methyl-benzoic acid (3754-72-1) + p-Toluic acid (99-94-5)

Guidance literature:

at 260 - 270 ℃;

Reference yield:

2-methyl-5-isopropylacetophenone (1202-08-0) → 5-isopropyl-2-methyl-benzoic acid (3754-72-1)

Guidance literature:

With alkaline aqueous sodium hypochlorite solution;

DOI:10.1021/ja01207a008

Reference yield:

carbon dioxide (124-38-9,18923-20-1) → 5-isopropyl-2-methyl-benzoic acid (3754-72-1)

Guidance literature:

With diethyl ether; unter Druck;

upstream raw materials:

2-methyl-5-isopropylacetophenone

5-isopropyl-2-methylbenzaldehyde

5-isopropyl-2-methyl-benzonitrile

carbon dioxide

Downstream raw materials:

5-isopropyl-2-methyl-benzoic acid methyl ester

4-(α-hydroxy-isopropyl)-phthalic acid