2-Hydroxy-6-methylbenzenesulfonic acid

Base Information

• Chemical Name: 2-Hydroxy-6-methylbenzenesulfonic acid
• CAS No.: 69103-65-7
• Molecular Formula: C7H8O4S
• Molecular Weight: 188.204
• UNII: Q16EQ83BQD
• DSSTox Substance ID: DTXSID00388491
• Nikkaji Number: J163.811D
• Wikidata: Q27286877
• Mol file: 69103-65-7.mol

Synonyms:69103-65-7;2-hydroxy-6-methylbenzenesulfonic acid;2-hydroxy-6-methyl-Benzenesulfonic acid;Benzenesulfonic acid, 2-hydroxy-6-methyl-;Metacresol-2-sulfonic acid;UNII-Q16EQ83BQD;Q16EQ83BQD;m-Cresol sulfonic acid;m-Kresolsulfonsaure;m-cresolsulfonic acid;m-Cresol-2-sulfonic acid;SCHEMBL563387;DTXSID00388491;ODLIHNXQTJXBDT-UHFFFAOYSA-N;AKOS015889344;2-hydroxy-6-methyl-Benzenesulfonicacid;2-hydroxy-6-methylbenzene-1-sulfonic acid;FT-0655264;EN300-1091641;A836355;Q27286877;2-hydroxy-6-2-Hydroxy-6-methyl-benzenesulfonic acidmethyl-benzenesulfonic acid

Chemical Property of 2-Hydroxy-6-methylbenzenesulfonic acid

Chemical Property:

• PKA: -0.53±0.30(Predicted)
• PSA: 82.98000
• Density: 1.482±0.06 g/cm3(Predicted)
• LogP: 2.02810
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 188.01432991
• Heavy Atom Count: 12
• Complexity: 241

Purity/Quality:

99% ^*data from raw suppliers

META CRESOL SULFONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-Hydroxy-6-methylbenzenesulfonic acid

There total 4 articles about 2-Hydroxy-6-methylbenzenesulfonic 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:

3-methyl-phenol (108-39-4) → 5-methyl-1-hydroxybenzene-4-sulfonic acid (7134-05-6) + 3-methylphenol-2-sulphonic acid (69103-65-7) + 2-hydroxy-4-methylbenzenesulfonic acid (22356-80-5) + 4-Hydroxy-2-methyl-benzene-1,3-disulfonic acid (99533-76-3)

Guidance literature:

With sulfuric acid; at 35 ℃; for 0.0833333h; Further byproducts given;

Reference yield:

3-methyl-phenol (108-39-4) → 5-methyl-1-hydroxybenzene-4-sulfonic acid (7134-05-6) + 3-methylphenol-2-sulphonic acid (69103-65-7) + 5-hydroxy-toluene-2,4-disulfonic acid (15509-33-8) + 2-hydroxy-4-methylbenzenesulfonic acid (22356-80-5)

Guidance literature:

With sulfuric acid; at 35 ℃; for 0.3h; Product distribution; sulphonation of various methylphenols at variation of reaction time;

Reference yield:

3-methyl-phenol (108-39-4) → 5-methyl-1-hydroxybenzene-4-sulfonic acid (7134-05-6) + 3-methylphenol-2-sulphonic acid (69103-65-7) + 2-hydroxy-4-methylbenzenesulfonic acid (22356-80-5)

Guidance literature:

With sulfuric acid; at 25 ℃; Rate constant; Product distribution; variation of H₂SO₄ concentration;

upstream raw materials:

3-methyl-phenol

Downstream raw materials:

5-methyl-1-hydroxybenzene-4-sulfonic acid

2-hydroxy-4-methylbenzenesulfonic acid

4-Hydroxy-2-methyl-benzene-1,3-disulfonic acid

Refernces

• 1、 Cerfontain, Hans,Lambrechts, Hans J. A.,Schaasberg-Nienhuis, Zwaan R. H.,Coombes, Robert G.,Hadjigeorgiou, Panicos,Tucker, Geoffrey. "Aromatic Sulphonation. Part 91. The Sulphonation of Anisole, Phenol, Phenyl Methanesulphonate, Potassium Phenyl Sulphate, and a Series of Methyl-, Bromo-, and Chloro-substituted Anisoles and Phenols in Concentrated Aqueous Sulphuric Acid". . p. 659 - 668. Retrieved 2007/10/02.