o-Cumylphenol

Base Information

• Chemical Name: o-Cumylphenol
• CAS No.: 18168-40-6
• Molecular Formula: C15H16 O
• Molecular Weight: 212.291
• Hs Code.: 2907199090
• UNII: W8K97R8J5R
• DSSTox Substance ID: DTXSID90171177
• Nikkaji Number: J1.370.403A
• Wikidata: Q27292464
• Mol file: 18168-40-6.mol

Synonyms:o-Cumylphenol;18168-40-6;2-(2-phenylpropan-2-yl)phenol;2-Cumylphenol;Phenol, 2-(1-methyl-1-phenylethyl)-;BRN 2329602;CUMYLPHENOL;Phenol, o-(alpha,alpha-dimethylbenzyl)-;o-(alpha,alpha-Dimethylbenzyl)phenol;UNII-W8K97R8J5R;o-(.alpha.,.alpha.-Dimethylbenzyl)phenol;PHENOL,(1-METHYL-1-PHENYLETHYL)-;W8K97R8J5R;Phenol, o-(.alpha.,.alpha.-dimethylbenzyl)-;Cumyl phenol;2-(alpha-Cumyl)phenol;SCHEMBL51085;Dimethylphenol-2-ylphenylmethane;DTXSID90171177;2-(1-Methyl-1-phenylethyl)phenol #;2-(.alpha.,.alpha.-Dimethylbenzyl)phenol;LS-104497;A927901;Q27292464

Chemical Property of o-Cumylphenol

Chemical Property:

• Vapor Pressure: 0.000163mmHg at 25°C
• Boiling Point: 321°Cat760mmHg
• Flash Point: 151.1°C
• PSA: 20.23000
• Density: 1.055g/cm³
• LogP: 3.71810
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 212.120115130
• Heavy Atom Count: 16
• Complexity: 216

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C1=CC=CC=C1)C2=CC=CC=C2O

Technology Process of o-Cumylphenol

There total 4 articles about o-Cumylphenol 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: 53.0%

isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) + phenol (108-95-2,27073-41-2) → 2,4-di-cumylphenol (2772-45-4,106060-52-0) + dimethylphenyl(2-hydroxyphenyl)methane (18168-40-6)

Guidance literature:

With aluminium(III) phenoxide; at 110 ℃;

DOI:10.1007/s11172-007-0170-5

Reference yield: 32.7%

1-methyl-1-phenylethyl alcohol (617-94-7) + phenol (108-95-2,27073-41-2) → p-cumylphenol (599-64-4) + dimethylphenyl(2-hydroxyphenyl)methane (18168-40-6)

Guidance literature:

With aluminium(III) phenoxide; In various solvent(s); at 100 ℃; for 1h;

Reference yield:

isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) + phenol (108-95-2,27073-41-2) → p-cumylphenol (599-64-4) + dimethylphenyl(2-hydroxyphenyl)methane (18168-40-6)

Guidance literature:

With aluminium(III) phenoxide; at 120 ℃;

upstream raw materials:

isopropenylbenzene

phenol

1-methyl-1-phenylethyl alcohol

Downstream raw materials:

Cumylphenyl Phosphite

2-(2-phenylprop-2-yl)-4-tritylphenol

2-hydroxy-3-(2-phenylpropan-2-yl)-5-chlorobenzaldehyde

5-bromo-2-hydroxy-3-(2-phenylpropan-2-yl)benzaldehyde

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