2,6-Dicyclohexylphenol

Base Information

• Chemical Name: 2,6-Dicyclohexylphenol
• CAS No.: 4821-19-6
• Molecular Formula: C18H26O
• Molecular Weight: 258.404
• European Community (EC) Number: 225-396-4
• DSSTox Substance ID: DTXSID60197465
• Nikkaji Number: J39.601J
• Wikidata: Q83070322
• ChEMBL ID: CHEMBL109663
• Mol file: 4821-19-6.mol

Synonyms:2,6-Dicyclohexylphenol;4821-19-6;2.6-DICYCLOHEXYLPHENOL;CHEMBL109663;EINECS 225-396-4;2,6-Dicyclohexyl-phenol;Oprea1_510377;SCHEMBL201425;DTXSID60197465;BDBM50409545;STK758168;AKOS001734702;NCGC00341519-01;CS-0264695;FT-0666659;EN300-93918;AB01332449-02;SR-01000520186;SR-01000520186-1;Z1258995850

Chemical Property of 2,6-Dicyclohexylphenol

Chemical Property:

• Vapor Pressure: 0.000408mmHg at 25°C
• Refractive Index: 1.551
• Boiling Point: 307.1°C at 760 mmHg
• Flash Point: 143°C
• PSA: 20.23000
• Density: 1.032g/cm³
• LogP: 5.48760
• XLogP3: 6.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 258.198365449
• Heavy Atom Count: 19
• Complexity: 237

Purity/Quality:

99%, ^*data from raw suppliers

2,6-Dicyclohexylphenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(CC1)C2=C(C(=CC=C2)C3CCCCC3)O
• Uses: An analogue of the general anesthetic Propofol (P829750), as antioxidant in isotactic polypropylene.

Technology Process of 2,6-Dicyclohexylphenol

There total 16 articles about 2,6-Dicyclohexylphenol 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: 98.5%

→ 2,6-dicyclohexylphenol (4821-19-6)

Guidance literature:

palladium/alumina; calcium oxide; at 250 ℃;

Reference yield: 45.0%

1-bromocyclohexane (108-85-0) + phenol (108-95-2,27073-41-2) → 2-cyclohexylphenol (119-42-6) + 2,6-dicyclohexylphenol (4821-19-6) + 2,4-dicyclohexylphenol (35406-29-2) + p-cyclohexylphenol (1131-60-8)

Guidance literature:

at 110 - 120 ℃; for 96h;

DOI:10.1080/00397919608003808

Reference yield: 7.3%

→ (1,1';3',1''-terphenyl)-2'-ol (2432-11-3) + 2,6-dicyclohexylphenol (4821-19-6)

Guidance literature:

palladium/alumina; calcium oxide; at 450 ℃;

upstream raw materials:

aluminium(III) phenoxide

cyclohexene

phenol

4-bromo-2,6-dicyclohexyl-phenol

Refernces

• 1、 Oleynik,Kuprina,Pevneva,Markov,Kandalintseva,Prosenko,Grigor'ev. "Synthesis and antioxidant properties of sodium S-[3-(hydroxyaryl)propyl] thiosulfates and [3-(hydroxyaryl)propane]-1-sulfonates". . p. 1135 - 1143. Retrieved 2008/09/17.
• 2、 Arredondo, Yolanda,Moreno-Manas, Marcial,Pleixats, Roser. "Non-catalyzed C-alkylation of phenols with cyclic secondary alkyl bromides". . p. 3885 - 3895. Retrieved 2007/10/03.