2-Ethyl-6-(1-methylbutyl)phenol

Base Information

• Chemical Name: 2-Ethyl-6-(1-methylbutyl)phenol
• CAS No.: 74926-92-4
• Molecular Formula: C13H20O
• Molecular Weight: 192.2973
• DSSTox Substance ID: DTXSID70996421
• Nikkaji Number: J79.336A
• ChEMBL ID: CHEMBL29496
• Mol file: 74926-92-4.mol

Synonyms:2-Ethyl-6-(1-methylbutyl)phenol;BRN 5503198;2-Ethyl-6-(sec-pentyl)phenol;Phenol, 2-ethyl-6-(1-methylbutyl)-;74926-92-4;CHEMBL29496;DTXSID70996421;2-Ethyl-6-(pentan-2-yl)phenol;LS-104635

Chemical Property of 2-Ethyl-6-(1-methylbutyl)phenol

Chemical Property:

• Vapor Pressure: 0.00356mmHg at 25°C
• Boiling Point: 272.8°C at 760 mmHg
• Flash Point: 125.1°C
• Density: 0.943g/cm³
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 155

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCC(C)C1=CC=CC(=C1O)CC

Technology Process of 2-Ethyl-6-(1-methylbutyl)phenol

There total 3 articles about 2-Ethyl-6-(1-methylbutyl)phenol 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:

methylbutylphenol (87-26-3) → 2-ethyl-6-(1-methylbutyl)phenol (74926-92-4)

Guidance literature:

Multi-step reaction with 3 steps

1: N-chlorosuccinimide (NCS) / CH₂Cl₂ / 0.5 h / -25 °C

2: triethylamine / CH₂Cl₂ / 4 h / Ambient temperature

3: W₂ Raney nickel / ethanol / 24 h / Heating

With N-chloro-succinimide; triethylamine; W₂ Raney nickel; In ethanol; dichloromethane;

DOI:10.1021/jm00186a013

Reference yield:

C15H25OS(1+)*Cl(1-) → 2-ethyl-6-(1-methylbutyl)phenol (74926-92-4)

Guidance literature:

Multi-step reaction with 2 steps

1: triethylamine / CH₂Cl₂ / 4 h / Ambient temperature

2: W₂ Raney nickel / ethanol / 24 h / Heating

With triethylamine; W₂ Raney nickel; In ethanol; dichloromethane;

DOI:10.1021/jm00186a013

Reference yield:

2-(1-Ethylsulfanyl-ethyl)-6-(1-methyl-butyl)-phenol → 2-ethyl-6-(1-methylbutyl)phenol (74926-92-4)

Guidance literature:

W₂ Raney nickel; In ethanol; for 24h; Yield given; Heating;

DOI:10.1021/jm00186a013

upstream raw materials:

methylbutylphenol

Refernces