4-Chloro-2-ethyl-6-propylphenol

Base Information

• Chemical Name: 4-Chloro-2-ethyl-6-propylphenol
• CAS No.: 53346-77-3
• Molecular Formula: C₁₁H₁₅ClO
• Molecular Weight: 198.692
• DSSTox Substance ID: DTXSID40201498
• Wikidata: Q83074709
• Mol file: 53346-77-3.mol

Synonyms:4-Chloro-2-ethyl-6-propylphenol;Phenol, 4-chloro-2-ethyl-6-propyl-;BRN 1868964;53346-77-3;DTXSID40201498;LS-104241

Chemical Property of 4-Chloro-2-ethyl-6-propylphenol

Chemical Property:

• Vapor Pressure: 0.00328mmHg at 25°C
• Boiling Point: 274.2°Cat760mmHg
• Flash Point: 119.6°C
• Density: 1.091g/cm³
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 198.0811428
• Heavy Atom Count: 13
• Complexity: 149

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=CC(=C1O)CC)Cl

Technology Process of 4-Chloro-2-ethyl-6-propylphenol

There total 3 articles about 4-Chloro-2-ethyl-6-propylphenol 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:

Aethyl-<5-chlor-2-hydroxy-3-aethylphenyl)-keton (53347-07-2) → 4-Chlor-2-aethyl-6-n-propylphenol (53346-77-3)

Guidance literature:

With hydrogenchloride; mercury; zinc;

Reference yield:

4-chloro-2-ethylphenol (18979-90-3) → 4-Chlor-2-aethyl-6-n-propylphenol (53346-77-3)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂SO₄

2: AlCl₃

3: aq. HCl / Zn-Hg

With hydrogenchloride; aluminium trichloride; sulfuric acid; mercury; zinc;

Reference yield:

Propionsaeure-<4-chlor-2-aethyl-phenylester> (53347-17-4) → 4-Chlor-2-aethyl-6-n-propylphenol (53346-77-3)

Guidance literature:

Multi-step reaction with 2 steps

1: AlCl₃

2: aq. HCl / Zn-Hg

With hydrogenchloride; aluminium trichloride; mercury; zinc;

upstream raw materials:

Aethyl-<5-chlor-2-hydroxy-3-aethylphenyl)-keton

4-chloro-2-ethylphenol

Propionsaeure-<4-chlor-2-aethyl-phenylester>

Refernces