Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl-

Base Information

• Chemical Name: Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl-
• CAS No.: 70766-54-0
• Molecular Formula: C16H26 O
• Molecular Weight: 234.382
• European Community (EC) Number: 274-857-6
• UNII: H8X3U95SYN
• DSSTox Substance ID: DTXSID4072152
• Nikkaji Number: J288.800I
• Wikidata: Q65653547
• Mol file: 70766-54-0.mol

Synonyms:4,6-Di-tert-butyl-2,3-xylenol;70766-54-0;Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl-;2,3-Dimethyl-4,6-di-tert-butylphenol;EINECS 274-857-6;4,6-Bis(1,1-dimethylethyl)-2,3-dimethylphenol;H8X3U95SYN;SCHEMBL8657615;DTXSID4072152;2,3-Xylenol, 4,6-di-tert-butyl-;2,4-Di-tert-butyl-5,6-dimethyl phenol;4,6-DI-TERT-BUTYL-2,3-DIMETHYLPHENOL;Q65653547

Chemical Property of Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl-

Chemical Property:

• Vapor Pressure: 0.00178mmHg at 25°C
• Boiling Point: 284°C at 760 mmHg
• Flash Point: 132.6°C
• Density: 0.923g/cm³
• XLogP3: 5.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 234.198365449
• Heavy Atom Count: 17
• Complexity: 256

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1C(C)(C)C)C(C)(C)C)O)C

Technology Process of Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl-

There total 3 articles about Phenol, 4,6-bis(1,1-dimethylethyl)-2,3-dimethyl- 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:

2,3-Dimethylphenol (526-75-0) + sulfuric acid (7664-93-9) + isobutene (115-11-7,15220-85-6) → 2,3-dimethyl-6-tert-butyl phenol (46170-85-8) + 6-Hydroxy-1.2-dimethyl-3.5-di-tert.-butyl-benzol (70766-54-0) + 6-Hydroxy-1.2-dimethyl-3-tert.-butyl-benzol (68189-19-5)

Guidance literature:

at 70 ℃;

DOI:10.1021/jo01152a008 DOI:10.1080/10473289.2002.10470810

Reference yield:

2,3-Dimethylphenol (526-75-0) + isobutene (115-11-7,15220-85-6) → 6-Hydroxy-1.2-dimethyl-3.5-di-tert.-butyl-benzol (70766-54-0)

Guidance literature:

With sulfuric acid;

DOI:10.1080/10473289.2002.10470810 DOI:10.1021/jo01152a008

Reference yield:

→ 6-Hydroxy-1.2-dimethyl-3.5-di-tert.-butyl-benzol (70766-54-0)

Guidance literature:

Neben 2,3-Dimethyl-6-tert-butyl-phenol aus 2,3-Dimethyl-phenol u. Isobuten in Ggw. v. konz. H2SO4;

upstream raw materials:

2,3-Dimethylphenol

sulfuric acid

isobutene

Downstream raw materials:

2,3-Dimethylphenol

isobutene

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