4,5-Dimethylsalicylic acid

Base Information Edit

Chemical Name:4,5-Dimethylsalicylic acid
CAS No.:58138-52-6
Molecular Formula:C9H10 O3
Molecular Weight:166.177
Hs Code.:
European Community (EC) Number:261-140-8
NSC Number:94398
DSSTox Substance ID:DTXSID00206863
Nikkaji Number:J296.883E
Mol file:58138-52-6.mol

Synonyms:2-hydroxy-4,5-dimethylbenzoic acid;58138-52-6;4,5-Dimethylsalicylic acid;EINECS 261-140-8;NSC94398;NCIOpen2_001472;SCHEMBL975877;DTXSID00206863;BBL018906;MFCD12196123;NSC 94398;NSC-94398;STL118200;AKOS005151424;VS-06820;EN300-1835031

Suppliers and Price of 4,5-Dimethylsalicylic acid

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 6 raw suppliers

Chemical Property of 4,5-Dimethylsalicylic acid Edit

Chemical Property:

Vapor Pressure:7.04E-05mmHg at 25°C
Boiling Point:329.6°C at 760 mmHg
Flash Point:167.4°C
PSA：57.53000
Density:1.249g/cm³
LogP:1.70720
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:166.062994177
Heavy Atom Count:12
Complexity:179

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 36
Safety Statements: 26

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=C(C=C1C)O)C(=O)O
Uses 2-Hydroxy-4,5-dimethylbenzoic Acid is a key intermediate used in the preparation of 4,5-Dimethylaspirin with antipyretic and analgesic activities like aspirin.

Technology Process of 4,5-Dimethylsalicylic acid

There total 19 articles about 4,5-Dimethylsalicylic 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: 78.0%

: 619-04-5
3,4-dimethylbenzoic acid

: 58138-52-6
2-hydroxy-4,5-dimethylbenzoic acid

Guidance literature:: With tert.-butylhydroperoxide; (2S,3S)-N-acetyl-2-amino-3-methylpentanoic acid; potassium acetate; palladium diacetate; p-benzoquinone; In 1,2-dimethoxyethane; water; at 100 ℃;
DOI:10.1016/j.tetlet.2021.153434