2-(1-Methylcyclohexyl)-p-cresol

Base Information

• Chemical Name: 2-(1-Methylcyclohexyl)-p-cresol
• CAS No.: 16152-65-1
• Molecular Formula: C14H20 O
• Molecular Weight: 204.312
• Hs Code.: 2907199090
• European Community (EC) Number: 240-303-7
• UNII: EO37Z2768Y
• DSSTox Substance ID: DTXSID2066016
• Nikkaji Number: J286.829F
• Mol file: 16152-65-1.mol

Synonyms:2-(1-Methylcyclohexyl)-p-cresol;16152-65-1;4-methyl-2-(1-methylcyclohexyl)phenol;Phenol, 4-methyl-2-(1-methylcyclohexyl)-;EINECS 240-303-7;UNII-EO37Z2768Y;EO37Z2768Y;p-Cresol, 2-(1-methylcyclohexyl)-;NONOX WSL;SCHEMBL224914;DTXSID2066016;2-(1-methylcyclohexyl)-4-methylphenol;2-(1-methylcyclohex-1-yl)-4-methylphenol;2-(1-methylcyclohex-1-yl) -4-methylphenol;FT-0703423;2-(.ALPHA.-METHYLCYCLOHEXYL)-P-CRESOL;2-(1-METHYLCYCLOHEXYL)-P-CRESOL, (+/-)-;W-110426;Q27277267

Chemical Property of 2-(1-Methylcyclohexyl)-p-cresol

Chemical Property:

• Vapor Pressure: 0.000579mmHg at 25°C
• Boiling Point: 301.7°Cat760mmHg
• Flash Point: 140.2°C
• PSA: 20.23000
• Density: 1.002g/cm³
• LogP: 3.92240
• XLogP3: 5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 204.151415257
• Heavy Atom Count: 15
• Complexity: 205

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)O)C2(CCCCC2)C

Technology Process of 2-(1-Methylcyclohexyl)-p-cresol

There total 2 articles about 2-(1-Methylcyclohexyl)-p-cresol 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%

1-methylcyclohex-1-ene (591-49-1) + p-cresol (106-44-5) → 4-methyl-2-(1-methylcyclohexyl)phenol (16152-65-1)

Guidance literature:

p-cresol; With sulfuric acid; at 95 ℃; for 0.5h; Inert atmosphere;

1-methylcyclohex-1-ene; at 40 - 60 ℃; for 1.75h; Inert atmosphere;

With sodium carbonate; In water; for 1h; Inert atmosphere; Reflux;

DOI:10.1002/anie.201210198

Reference yield:

p-cresol (106-44-5) + 1-Methylcyclohexanol (590-67-0) → 4-methyl-2-(1-methylcyclohexyl)phenol (16152-65-1)

Guidance literature:

With phosphoric acid; or AlCl₃;

DOI:10.1021/jo00007a012

Reference yield: 53.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 4-methyl-2-(1-methylcyclohexyl)phenol (16152-65-1) → 2-hydroxy-5-methyl-3-(1-methylcyclohexyl)benzaldehyde (133295-75-7)

Guidance literature:

4-methyl-2-(1-methylcyclohexyl)phenol; With triethylamine; magnesium chloride; In tetrahydrofuran; at 20 ℃; for 0.333333h; Inert atmosphere;

formaldehyd; In tetrahydrofuran; for 6h; Inert atmosphere; Reflux;

DOI:10.1002/anie.201210198

upstream raw materials:

1-methylcyclohex-1-ene

p-cresol

1-Methylcyclohexanol

Downstream raw materials:

2-chloromethyl-4-methyl-6-(1-methyl-cyclohexyl)-phenol

4,4'-dimethyl-6,6'-bis-(1-methyl-cyclohexyl)-2,2'-ethanediyl-di-phenol

2-hydroxy-5-methyl-3-(1-methylcyclohexyl)benzaldehyde

C₄₄H₅₂N₂O₂

Refernces

• 1、 Zhang, Wei,Jacobsen, Eric N.. "Asymmetric Olefin Epoxidation with Sodium Hypochlorite Catalyzed by Easily Prepared Chiral Mn(III) Salen Complexes". . p. 2296 - 2298. Retrieved 2007/10/02.