2,6-Diethyl-3,5-dimethylphenol

Base Information

• Chemical Name: 2,6-Diethyl-3,5-dimethylphenol
• CAS No.: 69051-28-1
• Molecular Formula: C12H18O
• Molecular Weight: 178.2707
• DSSTox Substance ID: DTXSID60219116
• Nikkaji Number: J79.306J
• Wikidata: Q83096006
• ChEMBL ID: CHEMBL28697

Synonyms:2,6-Diethyl-3,5-dimethylphenol;Phenol, 2,6-diethyl-3,5-dimethyl-;69051-28-1;CHEMBL28697;SCHEMBL9064773;DTXSID60219116;LS-104369

Chemical Property of 2,6-Diethyl-3,5-dimethylphenol

Chemical Property:

• Vapor Pressure: 0.00431mmHg at 25°C
• Boiling Point: 269.7°Cat760mmHg
• Flash Point: 121.2°C
• Density: 0.958g/cm³
• 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: 139

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=C(C=C1C)C)CC)O

Technology Process of 2,6-Diethyl-3,5-dimethylphenol

There total 4 articles about 2,6-Diethyl-3,5-dimethylphenol 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:

ethene (74-85-1) + 3,5-Dimethylphenol (108-68-9,50356-23-5) → 2,6-diethyl-3,5-dimethylphenol (69051-28-1)

Guidance literature:

With aluminium; Yield given. Multistep reaction; 1.) 120 deg C, 2 h, 2.) a) from 40 deg C to 200 deg C, 4 h, b) 200 deg C, 2 h;

DOI:10.1021/jm00186a013

Reference yield:

3,5-Dimethylphenol (108-68-9,50356-23-5) → 2,6-diethyl-3,5-dimethylphenol (69051-28-1)

Guidance literature:

With Al(3,5-Me₂C₆H₃O)3; ethene;

Reference yield:

2,6-Diacetyl-3,5-dimethyl-phenol (66634-65-9) → 2,6-diethyl-3,5-dimethylphenol (69051-28-1)

Guidance literature:

With hydrogenchloride; amalgamated zinc;

upstream raw materials:

2,6-Diacetyl-3,5-dimethyl-phenol

3,5-Dimethylphenol

ethene

Downstream raw materials:

2,6-diethyl-3,5-dimethyl-anisole

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