3-Cyclohexylphenol

Base Information

• Chemical Name: 3-Cyclohexylphenol
• CAS No.: 1943-95-9
• Molecular Formula: C12H16O
• Molecular Weight: 176.258
• Hs Code.: 2907199090
• European Community (EC) Number: 850-031-6
• DSSTox Substance ID: DTXSID10883780
• Nikkaji Number: J102.539B
• Wikidata: Q72460083
• Mol file: 1943-95-9.mol

Synonyms:3-Cyclohexylphenol;1943-95-9;Phenol, 3-cyclohexyl-;M-CYCLOHEXYLPHENOL;Phenol, 3(or 4)-cyclohexyl-;Phenol, m-cyclohexyl-;70561-22-7;3 -cyclohexyl-phenol;SCHEMBL219530;DTXSID10883780;BAA94395;BCP27400;MFCD16877054;AKOS015856566;DS-15748;AM20030262;CS-0186816;FT-0738382;EN300-300061;Z1255421865

Chemical Property of 3-Cyclohexylphenol

Chemical Property:

• Vapor Pressure: 0.00063mmHg at 25°C
• Boiling Point: 300.4°Cat760mmHg
• Flash Point: 152.3°C
• PSA: 20.23000
• Density: 1.042g/cm³
• LogP: 3.43990
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 176.120115130
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

3-Cyclohexylphenol 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)C2=CC(=CC=C2)O

Technology Process of 3-Cyclohexylphenol

There total 15 articles about 3-Cyclohexylphenol 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: 12.0%

2-(3-cyclohexylphenoxy)propionic acid (57568-54-4) → meta-cyclohexylphenol (1943-95-9) + 2-(4-cyclohexyl-2-hydroxyphenyl)propionic acid (57568-52-2)

Guidance literature:

In ethanol; for 2h; Irradiation;

DOI:10.1021/jm00144a019

Reference yield:

cyclohexylphenyl ether (2206-38-4) → meta-cyclohexylphenol (1943-95-9) + cyclohexanol (108-93-0) + p-cyclohexylphenol (1131-60-8) + phenol (108-95-2,27073-41-2)

Guidance literature:

With perchloric acid; at 5.9 ℃; Rate constant; Kinetics; Thermodynamic data; ΔH (excit), ΔS (excit); var. temp. and acid concentration; other secondary alkyl phenyl ethers;

Reference yield:

aluminium trichloride (7446-70-0) + chlorobenzene (108-90-7) + cyclohexene (110-83-8) → 2-cyclohexylphenol (119-42-6) + meta-cyclohexylphenol (1943-95-9) + p-cyclohexylphenol (1131-60-8)

Guidance literature:

at 30 - 40 ℃; anschliessendes Erhitzen mit wss. NaOH unter Zusatz von Cu₂O auf 280-290grad;

upstream raw materials:

1-cyclohexyl-3-methoxybenzene

2-(3-cyclohexylphenoxy)propionic acid

cyclohexylphenyl ether

p-cyclohexylphenol

Downstream raw materials:

p-cyclohexylphenol

2-(3-Cyclohexylphenoxy)propionsaeureethylester

2-(3-Cyclohexylphenoxy)propionitril

2-(3-Cyclohexylphenoxy)propionamid