2,4-Xylenol, 6-methoxy-

Base Information

• Chemical Name: 2,4-Xylenol, 6-methoxy-
• CAS No.: 2896-66-4
• Molecular Formula: C9H12 O2
• Molecular Weight: 152.193
• UNII: U3TD1030MT
• DSSTox Substance ID: DTXSID60183166
• Nikkaji Number: J2.523.684J
• Wikidata: Q83053887
• Mol file: 2896-66-4.mol

Synonyms:2-methoxy-4,6-dimethylphenol;6-Methoxy-2,4-xylenol;2,4-Xylenol, 6-methoxy-;2896-66-4;4,6-Dimethyl-2-methoxyphenol;U3TD1030MT;UNII-U3TD1030MT;6-METHYLCREOSOL;SCHEMBL678214;2,4-Dimethyl-6-methoxyphenol;3,5-Dimethyl-2-hydroxyanisole;DTXSID60183166;Phenol, 2-methoxy-4,6-dimethyl-;4,6-DIMETHYL-2-METHOXY-PHENOL

Chemical Property of 2,4-Xylenol, 6-methoxy-

Chemical Property:

• Vapor Pressure: 0.0199mmHg at 25°C
• Boiling Point: 244.1°C at 760 mmHg
• Flash Point: 105.5°C
• PSA: 29.46000
• Density: 1.053g/cm³
• LogP: 2.01760
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 152.083729621
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

3,5-Dimethyl-2-hydroxyanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4-Xylenol, 6-methoxy-

There total 13 articles about 2,4-Xylenol, 6-methoxy- 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: 98.0%

2-bromo-4,6-dimethylphenol (15191-36-3) + sodium methylate (124-41-4) → 2-methoxy-4,6-dimethylphenol (2896-66-4)

Guidance literature:

With Methyl formate; copper(l) chloride; In methanol; at 110 ℃; for 2h; Autoclave;

DOI:10.1039/c4gc00003j

Reference yield: 49.0%

2,6-dimethoxy-4-methylphenoxybenzene → cyclohexane (110-82-7,25012-93-5) + 2-methoxy-4,6-dimethylphenol (2896-66-4)

Guidance literature:

With hydrogen; In decalin; at 200 ℃; for 3h; under 75007.5 Torr;

DOI:10.1055/s-0037-1611678

Reference yield:

2-Hydroxy-3-methoxy-5-methylbenzylalkohol (7452-08-6) → 2-methoxy-4,6-dimethylphenol (2896-66-4)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

upstream raw materials:

5-formylvanillin

2,4-dimethyl-6-methoxyaniline

2-(2-methoxy-4,6-dimethyl-phenoxy)-5-nitro-benzophenone

2-hydroxy-3-methoxy-5-methylbenzaldehyde

Downstream raw materials:

4-hydroxy-3-methoxy-5-methylbenzaldehyde

2,4-Dimethoxy-4,6-dimethyl-2,5-cyclohexadienon