2,6-Diisobutylphenol

Base Information

• Chemical Name: 2,6-Diisobutylphenol
• CAS No.: 52348-51-3
• Molecular Formula: C14H22 O
• Molecular Weight: 206.328
• Hs Code.: 2907199090
• European Community (EC) Number: 257-865-4
• UNII: 32VIS902J4
• DSSTox Substance ID: DTXSID4068743
• Nikkaji Number: J295.643H
• Wikidata: Q27256194
• ChEMBL ID: CHEMBL109956
• Mol file: 52348-51-3.mol

Synonyms:2,6-Diisobutylphenol;Phenol, 2,6-diisobutyl-;Phenol, 2,6-bis(2-methylpropyl)-;2,6-bis(2-methylpropyl)phenol;52348-51-3;UNII-32VIS902J4;CHEMBL109956;32VIS902J4;EINECS 257-865-4;2,6-Diisobutyl-phenol;SCHEMBL864085;DTXSID4068743;BDBM50409537;Q27256194

Chemical Property of 2,6-Diisobutylphenol

Chemical Property:

• Vapor Pressure: 0.00142mmHg at 25°C
• Boiling Point: 287.6°Cat760mmHg
• Flash Point: 132.9°C
• PSA: 20.23000
• Density: 0.936g/cm³
• LogP: 3.78920
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 206.167065321
• Heavy Atom Count: 15
• Complexity: 156

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Diisobutylphenol

There total 3 articles about 2,6-Diisobutylphenol 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: 16.0%

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + isobutyraldehyde (78-84-2) → 2,6-bis(dimethylethyl) phenol (52348-51-3)

Guidance literature:

With zirconocene dichloride; at 150 ℃; for 8h;

DOI:10.1021/jo00256a061

Reference yield:

2-Hydroxy-1.3-dimethallyl-benzol (855836-66-7) → 2,6-bis(dimethylethyl) phenol (52348-51-3)

Guidance literature:

With ethanol; platinum; Hydrogenation;

DOI:10.1021/ja01305a044

Reference yield:

methallyl-(2-methallyl-phenyl)-ether (857825-00-4) → 2,6-bis(dimethylethyl) phenol (52348-51-3)

Guidance literature:

Multi-step reaction with 2 steps

2: platinum; ethanol / Hydrogenation

With ethanol; platinum;

DOI:10.1021/ja01305a044

upstream raw materials:

2-Hydroxy-1.3-dimethallyl-benzol

cyclohexanone

isobutyraldehyde

methallyl-(2-methallyl-phenyl)-ether

Downstream raw materials:

allyl-(2,6-diisobutyl-phenyl)-ether

3,5-dinitro-benzoic acid-(2,6-diisobutyl-4-propyl-phenyl ester)

4-Allyl-2,6-diisobutyl-phenol

2,6-Diisobutyl-4-propyl-phenol