2,4,5-Trihydroxytoluene

Base Information

• Chemical Name: 2,4,5-Trihydroxytoluene
• CAS No.: 1124-09-0
• Molecular Formula: C7H8 O3
• Molecular Weight: 140.139
• Hs Code.: 2907299090
• European Community (EC) Number: 214-390-7
• UNII: FE879NYQ80
• DSSTox Substance ID: DTXSID70150026
• Nikkaji Number: J116.755C
• Wikidata: Q27155549
• Mol file: 1124-09-0.mol

Synonyms:2,4,5-trihydroxytoluene;toluene-2,4,5-triol

Chemical Property of 2,4,5-Trihydroxytoluene

Chemical Property:

• Vapor Pressure: 9.93E-05mmHg at 25°C
• Boiling Point: 328.4°Cat760mmHg
• Flash Point: 169.9°C
• PSA: 60.69000
• Density: 1.387g/cm³
• LogP: 1.11180
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 140.047344113
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1O)O)O

Technology Process of 2,4,5-Trihydroxytoluene

There total 4 articles about 2,4,5-Trihydroxytoluene 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: 73.0%

4,4-bis(ethylthio)-6-methyl-1,3-cyclohexanedione (112473-08-2) → 1,2,4-tri-hydroxy-5-methylbenzene (1124-09-0)

Guidance literature:

With mercury dichloride; In methanol; water; for 5h; Ambient temperature;

Reference yield:

2-methyl-4,5-di-acetoxyphenyl acetate (5462-27-1) → 1,2,4-tri-hydroxy-5-methylbenzene (1124-09-0)

Guidance literature:

With methanol; sulfuric acid;

Reference yield:

2-Methyl-1,4-benzoquinone (553-97-9) → 1,2,4-tri-hydroxy-5-methylbenzene (1124-09-0)

Guidance literature:

Multi-step reaction with 2 steps

1: concentrated sulfuric acid / 50 - 60 °C

2: methanol; HCl

With hydrogenchloride; methanol; sulfuric acid;

upstream raw materials:

2-methyl-4,5-di-acetoxyphenyl acetate

4,4-bis(ethylthio)-6-methyl-1,3-cyclohexanedione

2-Methyl-1,4-benzoquinone

Downstream raw materials:

2-methoxy-5-methyl-1,4-benzoquinone

2-Hydroxy-5-methyl-3-nitro-benzochinon-(1,4)

2,5-dibromo-3-hydroxy-6-methyl-[1,4]benzoquinone

Refernces

• 1、 Ozaki, Yutaka,Kim, Sang-Won. "A New Entry to 1,2,4-Benzenetriol Congeners". . p. 1199 - 1200. Retrieved 2007/10/02.