4,5-Dimethylresorcinol

Base Information

• Chemical Name: 4,5-Dimethylresorcinol
• CAS No.: 527-55-9
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• European Community (EC) Number: 610-895-5
• NSC Number: 243682
• UNII: W3FCQ2N8R4
• DSSTox Substance ID: DTXSID40200663
• Nikkaji Number: J101.257F
• Wikidata: Q72472035
• Mol file: 527-55-9.mol

Synonyms:4,5-dimethylresorcinol;4-methylorcinol

Chemical Property of 4,5-Dimethylresorcinol

Chemical Property:

• Vapor Pressure: 0.00403mmHg at 25°C
• Melting Point: 135-137 °C
• Refractive Index: 1.582
• Boiling Point: 270.8 °C at 760 mmHg
• PKA: 10.18±0.23(Predicted)
• Flash Point: 132.5 °C
• PSA: 40.46000
• Density: 1.162 g/cm³
• LogP: 1.71460
• Storage Temp.: 2-8°C
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 114

Purity/Quality:

98%min ^*data from raw suppliers

4,5-Dimethylbenzene-1,3-diol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CC(=C1C)O)O

Technology Process of 4,5-Dimethylresorcinol

There total 18 articles about 4,5-Dimethylresorcinol 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: 91.0%

dimedone (3471-13-4) → 4,5-dimethylresorcinol (527-55-9)

Guidance literature:

With sulfuric acid; trifluoroacetic anhydride; for 12h; Heating; other dimedone derivatives as substrates;

DOI:10.1055/s-1992-26360

Reference yield: 88.0%

3,4-Dimethylphenol (95-65-8) → 4,5-dimethylresorcinol (527-55-9)

Guidance literature:

With hydrogen fluoride; dihydrogen peroxide; antimony pentafluoride; at -40 ℃; for 0.5h;

DOI:10.1039/c39800001128

Reference yield:

5,5'-dimethyl-4,4'-methanediyl-di-resorcinol (111666-02-5) + furan-2,3,5(4H)-trione pyridine (1:1) → orcinol (504-15-4) + 4,5-dimethylresorcinol (527-55-9)

Guidance literature:

upstream raw materials:

2,4-dihydroxy-6-methylbenzaldehyde

1,3-dimethoxy-5,6-dimethylbenzene

5,5'-dimethyl-4,4'-methanediyl-di-resorcinol

5-methylorsellinic acid

Downstream raw materials:

2,3-Dimethyl-5-methoxyphenol

2,4-dihydroxy 5,6-dimethylbenzaldehyde

5-methylorsellinic acid

2,6-dihydroxy-3,4-dimethyl-benzoic acid