4-(1-Methylhexyl)phenol

Base Information

• Chemical Name: 4-(1-Methylhexyl)phenol
• CAS No.: 6863-24-7
• Molecular Formula: C₁₃H₂₀O
• Molecular Weight: 192.301
• DSSTox Substance ID: DTXSID301029329
• Nikkaji Number: J701.611E
• Mol file: 6863-24-7.mol

Synonyms:4-(1-Methylhexyl)phenol;SCHEMBL6686936;DTXSID301029329;6863-24-7

Chemical Property of 4-(1-Methylhexyl)phenol

Chemical Property:

• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 136

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCCC(C)C1=CC=C(C=C1)O

Technology Process of 4-(1-Methylhexyl)phenol

There total 3 articles about 4-(1-Methylhexyl)phenol 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:

1-(heptan-2-yl)-4-methoxybenzene (6856-62-8) → 2-(4-Hydroxyphenyl)heptane (6863-24-7)

Guidance literature:

With hydrogen bromide; In acetic acid;

DOI:10.1039/j39670002281

Reference yield:

n-pentyl methyl ketone (110-43-0) + phenol (108-95-2,27073-41-2) → 2-(4-Hydroxyphenyl)heptane (6863-24-7) + methylhexylphenol (17404-42-1)

Guidance literature:

With Al⁽³⁺⁾-montmorillonite; at 100 ℃; for 48h; Yield given. Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1039/a701744h

Reference yield:

→ 2-(4-Hydroxyphenyl)heptane (6863-24-7)

Guidance literature:

Phenol, n-Heptanol, Erhitzen;

upstream raw materials:

1-(heptan-2-yl)-4-methoxybenzene

n-pentyl methyl ketone

phenol

Downstream raw materials:

(+/-)-4-<1-Methyl-hexyl>-2-nitro-phenol