2-Butyl-4-methylphenol

Base Information

• Chemical Name: 2-Butyl-4-methylphenol
• CAS No.: 6891-45-8
• Molecular Formula: C11H16 O
• Molecular Weight: 164.247
• Hs Code.: 2907199090
• European Community (EC) Number: 249-996-0,229-996-7
• DSSTox Substance ID: DTXSID20871173
• Nikkaji Number: J265.945J
• Metabolomics Workbench ID: 45242
• Mol file: 6891-45-8.mol

Synonyms:2-butyl-4-methylphenol;Butyl-p-cresol;2-Butyl-p-cresol;6891-45-8;2-Butyl-4-methyl phenol;EINECS 229-996-7;29997-27-1;EINECS 249-996-0;butyl-4-methylphenol;2-Butyl-p-cresol, 8CI;SCHEMBL21908;DTXSID20871173;CHEBI:171997;A1-38813

Chemical Property of 2-Butyl-4-methylphenol

Chemical Property:

• Melting Point: 19°C
• Refractive Index: 1.5133 (estimate)
• Boiling Point: 248.86°C (estimate)
• PSA: 20.23000
• Density: 0.9680
• LogP: 3.04320
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 164.120115130
• Heavy Atom Count: 12
• Complexity: 122

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=C(C=CC(=C1)C)O

Technology Process of 2-Butyl-4-methylphenol

There total 11 articles about 2-Butyl-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: 16.0%

n-butyllithium (109-72-8,29786-93-4) + 1-methyl-4-nitrobenzene (99-99-0) → 2-Butyl-4-methylphenol (6891-45-8) + 4-methyl-4-n-butyl-cyclohexadiene-2,5-one-1 (66270-58-4)

Guidance literature:

n-butyllithium; 1-methyl-4-nitrobenzene; In tetrahydrofuran; at -70 ℃;

With 3,3-dimethyldioxirane; In tetrahydrofuran; water;

DOI:10.1021/jo9915628

Reference yield:

p-cresol (106-44-5) + butan-1-ol (71-36-3) → 2-Butyl-4-methylphenol (6891-45-8)

Guidance literature:

With boron trifluoride; In tetrachloromethane; at 152 ℃;

Reference yield:

1-Butyl-4-methyl-cyclohexa-2,5-diene-1,4-diol (114534-30-4) → 4-Butyl-2-methylphenol (17269-95-3) + 2-Butyl-4-methylphenol (6891-45-8)

Guidance literature:

With sulfuric acid; In diethyl ether; for 1h; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4020(01)88530-6

upstream raw materials:

1-(2-hydroxy-5-methylphenyl)butan-1-one

1-bromo-butane

p-cresol

α-chlorobutyl phenyl sulfide

Downstream raw materials:

2-butyl-6-chloromethyl-4-methyl-phenol

3,3'-dibutyl-5,5'-dimethyl-bibenzyl-2,2'-diol