2-tert-Butyl-6-ethylphenol

Base Information

• Chemical Name: 2-tert-Butyl-6-ethylphenol
• CAS No.: 63551-41-7
• Molecular Formula: C12H18O
• Molecular Weight: 178.274
• Hs Code.: 2907199090
• European Community (EC) Number: 264-308-9
• UNII: 9AA98H4WWN
• DSSTox Substance ID: DTXSID40212948
• Nikkaji Number: J349.256G
• Wikidata: Q83088189
• Mol file: 63551-41-7.mol

Synonyms:2-tert-Butyl-6-ethylphenol;63551-41-7;EINECS 264-308-9;9AA98H4WWN;Phenol, 2-tert-butyl-6-ethyl-;2-(1,1-dimethyl-ethyl)-6-ethyl-phenol;UNII-9AA98H4WWN;SCHEMBL57139;2-(tert-Butyl)-6-ethylphenol;DTXSID40212948;MB24005;Phenol, 2-(1,1-dimethylethyl)-6-ethyl-;2-(1,1-DIMETHYLETHYL)-6-ETHYLPHENOL;A1-38403

Chemical Property of 2-tert-Butyl-6-ethylphenol

Chemical Property:

• Vapor Pressure: 0.0278mmHg at 25°C
• Boiling Point: 238.3°C at 760 mmHg
• Flash Point: 106.5°C
• PSA: 20.23000
• Density: 0.951g/cm³
• LogP: 3.25210
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 178.135765193
• Heavy Atom Count: 13
• Complexity: 157

Purity/Quality:

99% ^*data from raw suppliers

2-(tert-Butyl)-6-ethylphenol 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=CC=C1)C(C)(C)C)O

Technology Process of 2-tert-Butyl-6-ethylphenol

There total 5 articles about 2-tert-Butyl-6-ethylphenol 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: 57.8%

4-bromo-2-tert-butyl-6-ethylphenol (102271-89-6) → 2-tert-butyl-6-ethylphenol (63551-41-7)

Guidance literature:

With sodium hydroxide; Raney nickel-aluminum alloy; In ethanol; water; 1.) r.t., 3.5 h; 2.) reflux, 2 h;

DOI:10.1248/cpb.34.121

Reference yield: 56.0%

2-tert-butyl-3-(1-ethyl-vinyl)-2-ethynyl-oxirane → 2-tert-butyl-6-ethylphenol (63551-41-7)

Guidance literature:

[(tris(1-pyrazolyl)borate)Ru(P(phenyl)3)(CH₃CN)2]PF₆; In toluene; at 100 ℃; for 12h;

DOI:10.1055/s-2006-926255

Reference yield:

o-Hydroxyethylbenzene (90-00-6) + sulfuric acid (7664-93-9) + isobutene (115-11-7,15220-85-6) → 2-Ethyl-4-tert-butylphenol (63452-61-9) + 2-tert-butyl-6-ethylphenol (63551-41-7) + 2-ethyl-4,6-di-tert-butyl-phenol (6287-47-4)

Guidance literature:

at 70 ℃;

DOI:10.1021/jo01152a008 DOI:10.1021/ie50399a003 DOI:10.1080/10473289.2002.10470810

upstream raw materials:

4-bromo-2-tert-butyl-6-ethylphenol

o-Hydroxyethylbenzene

sulfuric acid

isobutene

Downstream raw materials:

3-[1-(3-tert-Butyl-5-ethyl-4-hydroxy-phenyl)-meth-(Z)-ylidene]-dihydro-furan-2-one

3-tert-butyl-5-ethyl-4-hydroxybenzaldehyde