2-Cumyl-4-methylphenol

Base Information

• Chemical Name: 2-Cumyl-4-methylphenol
• CAS No.: 2675-76-5
• Molecular Formula: C16H18 O
• Molecular Weight: 226.318
• NSC Number: 29281,5328
• UNII: 5A1AP110WD
• DSSTox Substance ID: DTXSID30181255
• Nikkaji Number: J1.237.525E
• Wikidata: Q83051867
• ChEMBL ID: CHEMBL1795575
• Mol file: 2675-76-5.mol

Synonyms:8-Phenyl-m-cymen-4-ol;m-Cymen-4-ol, 8-phenyl-;2-cumyl-4-methylphenol;2675-76-5;5A1AP110WD;NSC-5328;NSC-29281;NSC 5328;4-methyl-2-(2-phenylpropan-2-yl)phenol;NSC 29281;UNII-5A1AP110WD;SCHEMBL3688880;CHEMBL1795575;6-(a,a-dimethylbenzyl)-p-cresol;DTXSID30181255;NSC5328;XNOWTXSDOVXNMA-UHFFFAOYSA-N;NSC29281;AT33397;2-(alpha, alpha-dimethylbenzyl)-4-methylphenol;Phenol, 4-methyl-2-(1-methyl-1-phenylethyl)-;2-(2-PHENYLPROPANE-2-YL)-4-METHYLPHENOL;4-METHYL-2-(1-METHYL-1-PHENYLETHYL)PHENOL;2-(.ALPHA.,.ALPHA.-DIMETHYLBENZYL)-4-METHYLPHENOL

Chemical Property of 2-Cumyl-4-methylphenol

Chemical Property:

• Vapor Pressure: 7.01E-05mmHg at 25°C
• Boiling Point: 333.5°C at 760 mmHg
• Flash Point: 156.6°C
• Density: 1.04g/cm³
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 226.135765193
• Heavy Atom Count: 17
• Complexity: 240

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Cumyl-4-methylphenol

There total 4 articles about 2-Cumyl-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: 90.0%

p-cresol (106-44-5) + isopropenylbenzene (98-83-9,6144-04-3,25014-31-7,42612-14-6) → 4-methyl-2-(1-methyl-1-phenylethyl)phenol (2675-76-5)

Guidance literature:

With aluminium; at 110 ℃;

DOI:10.1007/s11172-007-0170-5

Reference yield: 74.6%

→ 4-methyl-2-(1-methyl-1-phenylethyl)phenol (2675-76-5)

Guidance literature:

With toluene-4-sulfonic acid; In Petroleum ether; at 75 ℃; Inert atmosphere;

Reference yield: 27.0%

p-cresol (106-44-5) + Cumene hydroperoxide (80-15-9) → 4-methyl-2-(1-methyl-1-phenylethyl)phenol (2675-76-5)

Guidance literature:

With titanium tetrachloride; In tetrachloromethane; at 20 ℃; for 4h;

DOI:10.1021/jo990742e

upstream raw materials:

p-cresol

isopropenylbenzene

Cumene hydroperoxide

Downstream raw materials:

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

C₄₀H₅₂N₂O₂

{ONO^Me,Cumyl}AlMe

{ONO^Me,Cumyl}Al((rac)-OCH(CF₃)CH₂CO₂C₂H₅)