Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethoxy-

Base Information

• Chemical Name: Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethoxy-
• CAS No.: 5442-35-3
• Molecular Formula: C16H26 O2
• Molecular Weight: 250.381
• Hs Code.: 2909500000
• NSC Number: 14454
• DSSTox Substance ID: DTXSID00202820
• Wikidata: Q83076138
• Mol file: 5442-35-3.mol

Synonyms:Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethoxy-;5442-35-3;NSC14454;SCHEMBL448549;2,6-di-t-butyl-4-ethoxyphenol;DTXSID00202820;YQQQXXUABFURLN-UHFFFAOYSA-N;2,6-Di-tert-butyl-4-ethoxyphenol;2,6-ditert-butyl-4-ethoxy-phenol;NSC 14454;NSC-14454;Phenol,6-bis(1,1-dimethylethyl)-4-ethoxy-

Chemical Property of Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethoxy-

Chemical Property:

• Vapor Pressure: 0.00025mmHg at 25°C
• Boiling Point: 314.6°C at 760 mmHg
• Flash Point: 84.6°C
• PSA: 29.46000
• Density: 0.956g/cm³
• LogP: 4.38590
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 250.193280068
• Heavy Atom Count: 18
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C

Technology Process of Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethoxy-

There total 7 articles about Phenol, 2,6-bis(1,1-dimethylethyl)-4-ethoxy- 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: 96.0%

2,6-di-tert-butyl-4-hydroxyphenol (2444-28-2) + ethyl ester of p-toluenesulfonic acid (80-40-0) → para-methoxy-2,6-di-tert-butylphenol (5442-35-3)

Guidance literature:

With sodium hydroxide; at 90 - 100 ℃; for 1.5h;

Reference yield:

ethanol (64-17-5) + 4-bromo-2,6-di-tert-butylcyclohexa-2,5-dienone (950-57-2) → 2,6-di-tert-butyl-4-hydroxyphenol (2444-28-2) + 2,6-Di-tert-butyl-1,4-benzoquinone (719-22-2) + 4-bromo-2,6-di-tert-butylphenol (1139-52-2) + para-methoxy-2,6-di-tert-butylphenol (5442-35-3)

Guidance literature:

With silver perchlorate; sodium carbonate; at 0 ℃; for 0.0333333h; Yield given. Yields of byproduct given;

DOI:10.1021/jo9609945

Reference yield:

diethyl sulfate (64-67-5) + 2,6-di-tert-butyl-4-hydroxyphenol (2444-28-2) → para-methoxy-2,6-di-tert-butylphenol (5442-35-3)

Guidance literature:

With potassium hydroxide; sodium dithionite;

DOI:10.1017/S003441250000531X

upstream raw materials:

diethyl sulfate

2,6-di-tert-butyl-4-hydroxyphenol

4-Ethoxyphenol

isobutene

Downstream raw materials:

4-ethoxy-2,6-di-tert-butyl-phenoxyl

C₃₈H₅₄N₂O₆

2,6-Di-tert-butyl-1,4-benzoquinone

dihydrogen peroxide