2-Cyclohexyl-4-methylphenol

Base Information

• Chemical Name: 2-Cyclohexyl-4-methylphenol
• CAS No.: 1596-09-4
• Molecular Formula: C13H18 O
• Molecular Weight: 190.285
• Hs Code.: 2907199090
• European Community (EC) Number: 216-478-0
• UNII: S4P75CM364
• DSSTox Substance ID: DTXSID80166693
• Nikkaji Number: J103.851F
• Wikidata: Q83035913
• Mol file: 1596-09-4.mol

Synonyms:2-Cyclohexyl-4-methylphenol;1596-09-4;2-Cyclohexyl-p-cresol;PHENOL, 2-CYCLOHEXYL-4-METHYL-;p-Cresol, 2-cyclohexyl-;4-Methyl-2-cyclohexylphenol;EINECS 216-478-0;o-Cyclohexyl-p-cresol;S4P75CM364;UNII-S4P75CM364;SCHEMBL2702248;DTXSID80166693;BAA59609;CS-M0186;AKOS006273197;CS-14208;LS-104287;FT-0724775;A810044;W-107986

Chemical Property of 2-Cyclohexyl-4-methylphenol

Chemical Property:

• Vapor Pressure: 0.00921mmHg at 25°C
• Melting Point: 56 °C
• Boiling Point: 257.1°Cat760mmHg
• PKA: 10.58±0.43(Predicted)
• Flash Point: 116.7°C
• PSA: 20.23000
• Density: 1.026g/cm³
• LogP: 3.74830
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 190.135765193
• Heavy Atom Count: 14
• Complexity: 172

Purity/Quality:

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

Safty Information:

• Pictogram(s): Moderately toxic by ingestion. A severe eye irritant.
• Hazard Codes: Moderately toxic by ingestion. A severe eye irritant.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)O)C2CCCCC2

Technology Process of 2-Cyclohexyl-4-methylphenol

There total 24 articles about 2-Cyclohexyl-4-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: 92.1%

p-cresol (106-44-5) → 2-Cyclohexyl-4-methyl-phenol (1596-09-4)

Guidance literature:

In cyclohexene;

Reference yield: 85.0%

p-cresol (106-44-5) + cyclohexanol (108-93-0) → 2-Cyclohexyl-4-methyl-phenol (1596-09-4)

Guidance literature:

With sulfated zirconia; at 140 ℃; for 1h;

DOI:10.1080/00397910802139387

Reference yield: 57.0%

p-cresol (106-44-5) + cyclohexyl mesylate (16156-56-2) → 2,5-dicyclohexyl-4-methylphenol (20005-52-1) + 2,6-dicyclohexyl-4-methylphenol (7226-88-2) + 2-Cyclohexyl-4-methyl-phenol (1596-09-4)

Guidance literature:

With trifluorormethanesulfonic acid; at 80 ℃; for 0.5h;

DOI:10.1055/s-1999-3436

upstream raw materials:

1-(cyclohexyloxy)-4-methylbenzene

p-cresol

cyclohexanone

cyclohexene

Downstream raw materials:

2-tert-Butyl-6-cyclohexyl-4-methyl-phenol

2-Cyclohexyl-4-methyl-6-tert-pentyl-phenol

2,6-dicyclohexyl-4-methylphenol

2,2'-methylenebis(4-methyl-6-cyclohexylphenol)

Refernces

• 1、 Gamliel, David P.,Karakalos, Stavros,Valla, Julia A.. "Liquid phase hydrodeoxygenation of anisole, 4-ethylphenol and benzofuran using Ni, Ru and Pd supported on USY zeolite". . p. 20 - 29. Retrieved 2018/04/20.
• 2、 Jin, Hailian,Ansari, Mohd Bismillah,Park, Sang-Eon. "Chemoselective O-Versus C-Alkylation of substituted phenols with cyclohexene over mesoporous ZSM-5". . p. 184 - 190. Retrieved 2014/02/14.