4-Ethyl-2-methoxy-5-methylphenol

Base Information

• Chemical Name: 4-Ethyl-2-methoxy-5-methylphenol
• CAS No.: 120550-71-2
• Molecular Formula: C₁₀H₁₄O₂
• Molecular Weight: 166.22
• UNII: JI32GU8QO2
• DSSTox Substance ID: DTXSID90152906
• Nikkaji Number: J253.675G
• Wikidata: Q83019694
• Mol file: 120550-71-2.mol

Synonyms:4-ethyl-2-methoxy-5-methylphenol;120550-71-2;JI32GU8QO2;Phenol, 4-ethyl-2-methoxy-5-methyl-;4-Ethyl-5-methylguaiacol;UNII-JI32GU8QO2;SCHEMBL19463954;DTXSID90152906

Chemical Property of 4-Ethyl-2-methoxy-5-methylphenol

Chemical Property:

• Vapor Pressure: 0.0041mmHg at 25°C
• Boiling Point: 270.5°Cat760mmHg
• Flash Point: 123°C
• Density: 1.032g/cm³
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 166.099379685
• Heavy Atom Count: 12
• Complexity: 136

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC(=C(C=C1C)O)OC

Technology Process of 4-Ethyl-2-methoxy-5-methylphenol

There total 3 articles about 4-Ethyl-2-methoxy-5-methylphenol 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:

isovanillin (621-59-0) → 4-ethyl-2-methoxy-5-methylphenol (120550-71-2)

Guidance literature:

Multi-step reaction with 3 steps

1: hydrogen

2: aluminium chloride / CS₂ / 16 h / Ambient temperature

3: hydrogen / Pd-C

With aluminium trichloride; hydrogen; palladium on activated charcoal; In carbon disulfide;

DOI:10.3891/acta.chem.scand.43-0044

Reference yield:

1-(4-hydroxy-5-methoxy-2-methyl-phenyl)-ethanone (162853-20-5) → 4-ethyl-2-methoxy-5-methylphenol (120550-71-2)

Guidance literature:

With hydrogenchloride; amalgamated zinc;

Reference yield:

2-methoxy-5-methylphenyl acetate (1688-19-3) → 4-ethyl-2-methoxy-5-methylphenol (120550-71-2)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃; nitrobenzene

2: aqueous HCl; amalgamated zinc

With hydrogenchloride; aluminium trichloride; amalgamated zinc; nitrobenzene;

upstream raw materials:

1-(4-hydroxy-5-methoxy-2-methyl-phenyl)-ethanone

isovanillin

2-methoxy-5-methylphenyl acetate

Downstream raw materials:

1-ethyl-3-bromo-4,5-dimethoxy-2-methyl-benzene

4-ethyl-2-bromo-6-methoxy-3-methyl-phenol

Refernces