2,6-Dihydroxy-4-methylbenzoic acid

Base Information

• Chemical Name: 2,6-Dihydroxy-4-methylbenzoic acid
• CAS No.: 480-67-1
• Molecular Formula: C8H8O4
• Molecular Weight: 168.149
• Hs Code.: 2918999090
• DSSTox Substance ID: DTXSID40197387
• Nikkaji Number: J54.291A
• Wikidata: Q72466762
• ChEMBL ID: CHEMBL447245
• Mol file: 480-67-1.mol

Synonyms:2,6-dihydroxy-4-methylbenzoic acid;480-67-1;4-Methyl-2,6-dihydroxybenzoic acid;p-Osellinic acid;gamma-Resorcylic acid, 4-methyl-;p-Orsellinic acid;2,6-Dihydroxy-4-methylbenzenecarboxylic acid;2,6-dihydroxy-4-methyl-benzoic acid;Benzoic acid, 2,6-dihydroxy-4-methyl-;2,6-Dihydroxy-p-toluic Acid;Orcincarbonsaure;SCHEMBL632446;CHEMBL447245;DTXSID40197387;C8-H7-O4;MFCD00184686;AKOS005070189;LS-143445;CS-0313515;D2770;FT-0610662;3P-058;D90113;A827459;J-507487

Chemical Property of 2,6-Dihydroxy-4-methylbenzoic acid

Chemical Property:

• Vapor Pressure: 5.9E-06mmHg at 25°C
• Melting Point: 175.5 °C
• Refractive Index: 1.5090 (estimate)
• Boiling Point: 364.6 °C at 760 mmHg
• PKA: 1.46±0.14(Predicted)
• Flash Point: 188.5 °C
• PSA: 77.76000
• Density: 1.46 g/cm³
• LogP: 1.10440
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 168.04225873
• Heavy Atom Count: 12
• Complexity: 168

Purity/Quality:

97% ^*data from raw suppliers

2,6-Dihydroxy-4-methylbenzoic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Dihydroxy-4-methylbenzoic acid

There total 18 articles about 2,6-Dihydroxy-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:

orcinol (504-15-4) + carbon dioxide (124-38-9,18923-20-1) → 2,6-dihydroxy-4-methyl-benzoic acid (480-67-1)

Guidance literature:

With potassium carbonate; under 36775.4 Torr;

DOI:10.1007/BF00899352

Reference yield:

orcinol (504-15-4) + potassium hydrogencarbonate (298-14-6) → 2,6-dihydroxy-4-methyl-benzoic acid (480-67-1)

Guidance literature:

With 2,3-dihydroxybenzoate decarboxylase from Aspergillus oryzae; In aq. phosphate buffer; at 30 ℃; for 24h; regioselective reaction; Enzymatic reaction;

DOI:10.1039/c3ra47719c

Reference yield:

→ 2,6-dihydroxy-4-methyl-benzoic acid (480-67-1)

Guidance literature:

With potassium hydrogencarbonate; at 200 ℃;

upstream raw materials:

orcinol

methylammonium carbonate

2,4-diacetyl-5-methyl-resorcinol

sulochrin

Downstream raw materials:

2,5-Dimethyl-7-hydroxy-chromon-8-carbonsaeure

3-dimethylaminomethyl-2,6-dihydroxy-4-methyl-benzoic acid

2,6-dihydroxy-4-methyl-3-phenylazo-benzoic acid

orcinol