3-Hydroxy-4-methylbenzoic acid

Base Information

• Chemical Name: 3-Hydroxy-4-methylbenzoic acid
• CAS No.: 586-30-1
• Molecular Formula: C8H8O3
• Molecular Weight: 152.15
• Hs Code.: 29182990
• European Community (EC) Number: 209-571-2
• NSC Number: 75850,67717
• UNII: 9TFP4SJ9ZT
• DSSTox Substance ID: DTXSID40207319
• Nikkaji Number: J95.432B
• Wikidata: Q72485092
• Mol file: 586-30-1.mol

Synonyms:3-Hydroxy-4-methylbenzoic acid;586-30-1;3-Hydroxy-p-toluic acid;3,4-Cresotic acid;Benzoic acid, 3-hydroxy-4-methyl-;3-Hydroxy-4-methyl-benzoic acid;3-Hydroxy-4-methylbenzoicacid;MFCD00002511;9TFP4SJ9ZT;EINECS 209-571-2;NSC-67717;NSC-75850;NSC75850;UNII-9TFP4SJ9ZT;NCIOpen2_000849;SCHEMBL71388;4-methyl-3-hydroxybenzoic acid;3-Hydroxy-4-methyl benzoic acid;DTXSID40207319;Methyl 4-Methylvalerate, 97+%;NSC67717;STR05899;CL9294;NSC 67717;NSC 75850;AKOS000121078;AC-2833;AM87080;FS-2669;BP-10046;SY003068;A8292;BB 0261392;CS-0008323;FT-0615825;H0929;EN300-23934;3-Hydroxy-4-methylbenzoic acid, technical grade;A929303;W-105377;Z166652050

Chemical Property of 3-Hydroxy-4-methylbenzoic acid

Chemical Property:

• Appearance/Colour: white to slightly beige powder
• Vapor Pressure: 1.41E-05mmHg at 25°C
• Melting Point: 205-210 °C(lit.)
• Refractive Index: 1.599
• Boiling Point: 352.6 °C at 760 mmHg
• PKA: 4.25±0.10(Predicted)
• Flash Point: 181.2 °C
• PSA: 57.53000
• Density: 1.304 g/cm³
• LogP: 1.39880
• Storage Temp.: Store below +30°C.
• Water Solubility.: 43.5g/L(100 oC)
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 152.047344113
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

98%, ^*data from raw suppliers

MethylHydroxybenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,C
• Hazard Codes: Xi,C
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)O)O
• Uses: Methyl Hydroxybenzoic Acid is also used in the preparation of a potent tie-2 kinase inhibitor in the inhibition of angiogenesis and tumor suppression. Used in the preparation of inhibitors of phosphatine kinases.

Technology Process of 3-Hydroxy-4-methylbenzoic acid

There total 28 articles about 3-Hydroxy-4-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:

methyl 4-methyl-3-hydroxybenzoate (3556-86-3) → 3-hydroxy-4-methylbenzoic acid (586-30-1)

Guidance literature:

With water; lithium hydroxide; In methanol; at 23 ℃; for 16h;

Reference yield:

3-methoxy-p-toluic acid (7151-68-0) → 3-hydroxy-4-methylbenzoic acid (586-30-1)

Guidance literature:

With aluminum tri-bromide; benzene;

DOI:10.1039/jr9530001285

Reference yield:

4-methyl-3-sulfobenzoic acid (62454-72-2) → 3-hydroxy-4-methylbenzoic acid (586-30-1)

Guidance literature:

With potassium carbonate;

upstream raw materials:

3-chloro-4-methylbenzoic acid

3-bromo-4-methylbenzoic acid

3-methoxy-p-toluic acid

3-hydroxy-4-methyl-cyclohexanecarboxylic acid

Downstream raw materials:

7-methyl-2-oxo-3-phenyl-2,3-dihydro-benzofuran-4-carboxylic acid

4-methylcyclohex-3-enecarboxylic acid

3-hydroxy-4-methylbenzyl alcohol

ortho-cresol

Refernces

• 1、 -. "BENZAMIDE CGRP RECEPTOR ANTAGONISTS". Page/Page column 88; 89. . Retrieved 2015/11/09.
• 2、 -. "Ligand-conjugated oligomeric compounds". . . Retrieved 2008/06/13.