3,6-Dimethylbenzene-1,2-diol

Base Information

• Chemical Name: 3,6-Dimethylbenzene-1,2-diol
• CAS No.: 2785-78-6
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• Hs Code.: 2907299090
• European Community (EC) Number: 820-236-5
• UNII: I40DP349GK
• DSSTox Substance ID: DTXSID00466788
• Nikkaji Number: J116.746D
• Wikidata: Q82293427
• Mol file: 2785-78-6.mol

Synonyms:3,6-dimethylbenzene-1,2-diol;2785-78-6;3,6-Dimethylpyrocatechol;3,6-Dimethylcatechol;1,2-Benzenediol, 3,6-dimethyl-;Pyrocatechol, 3,6-dimethyl-;I40DP349GK;1,2-Dihydroxy-3,6-dimethylbenzene;1,4-xylenediol;UNII-I40DP349GK;SCHEMBL44351;2,5-dimethyl-1,6-benzenediol;DTXSID00466788;RGUZWBOJHNWZOK-UHFFFAOYSA-N;3, 6-dimethylbenzene-1, 2-diol;CAA78578;MFCD24713417;AKOS027339171;BS-16777;CS-0153739;EN300-224492;Z1513803660

Chemical Property of 3,6-Dimethylbenzene-1,2-diol

Chemical Property:

• Melting Point: 102-104 °C(Solv: ligroine (8032-32-4))
• Boiling Point: 251.0±35.0 °C(Predicted)
• PKA: 9.95±0.15(Predicted)
• PSA: 40.46000
• Density: 1.162±0.06 g/cm3(Predicted)
• LogP: 1.71460
• Storage Temp.: Sealed in dry,Room Temperature
• 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: 99.8

Purity/Quality:

97% ^*data from raw suppliers

3,6-Dimethylbenzene-1,2-diol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,6-Dimethylbenzene-1,2-diol

There total 21 articles about 3,6-Dimethylbenzene-1,2-diol 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: 97.0%

Acetic acid 2-acetoxy-3,6-dimethyl-phenyl ester (85544-72-5) → 3,6-Dimethylcatechol (2785-78-6)

Guidance literature:

With hydrogenchloride; In methanol; for 4h; Heating;

Reference yield: 75.0%

3-(morpholinomethyl)-6-methylcatechol (54489-06-4) → 3,6-Dimethylcatechol (2785-78-6)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol; under 5171.5 Torr;

DOI:10.1021/jo00172a053

Reference yield: 49.0%

2,5-Dimethylphenol (95-87-4) → 3,6-Dimethylcatechol (2785-78-6)

Guidance literature:

With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In chloroform; at -25 ℃; for 12h;

DOI:10.1016/j.tetlet.2005.03.060

upstream raw materials:

2-hydroxy-3,6-dimethylbenzaldehyde

2,3-dihydroxy-4-methyl-benzaldehyde

2-(2-hydroxy-3,6-dimethyl-phenoxy)-5-nitro-benzophenone

3,6-bis-morpholin-4-ylmethyl-benzene-1,2-diol

Downstream raw materials:

3,6-Dimethyl-4,5-dimorpholino-1,2-benzochinon

7,10-Dimethyl-2,3,4,5-tetrahydro-benz-1,6-dioxocin

3,6-dimethylcatechol 2,4,6-trinitrophenyl ether

4,7-Dimethyl-1,3-benzdioxol