3-Ethyl-4-methylphenol

Base Information

• Chemical Name: 3-Ethyl-4-methylphenol
• CAS No.: 6161-67-7
• Molecular Formula: C9H12O
• Molecular Weight: 136.194
• European Community (EC) Number: 228-189-7
• UNII: Y51U5VJR2A
• DSSTox Substance ID: DTXSID60210628
• Nikkaji Number: J211.428C
• Wikidata: Q27294274
• Metabolomics Workbench ID: 48399
• Mol file: 6161-67-7.mol

Synonyms:3-ethyl-4-methylphenol;3-Ethyl-p-cresol;6161-67-7;EINECS 228-189-7;UNII-Y51U5VJR2A;Y51U5VJR2A;3-ethyl-4-methyl-phenol;3-Ethyl-p-cresol, 8CI;Phenol, 3-ethyl-4-methyl-;SCHEMBL2015021;DTXSID60210628;MB23722;A1-29064;Q27294274

Chemical Property of 3-Ethyl-4-methylphenol

Chemical Property:

• Vapor Pressure: 0.0369mmHg at 25°C
• Melting Point: 33°C
• Refractive Index: 1.5116 (estimate)
• Boiling Point: 233.3°C at 760 mmHg
• PKA: 10.37±0.18(Predicted)
• Flash Point: 103.8°C
• PSA: 20.23000
• Density: 0.994g/cm³
• LogP: 2.26300
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

99% ^*data from raw suppliers

3-Ethyl-4-methylphenol 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)O)C

Technology Process of 3-Ethyl-4-methylphenol

There total 15 articles about 3-Ethyl-4-methylphenol 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: 100.0%

4-(benzyloxy)-2-ethyl-1-methyl-benzene → 3-ethyl-4-methyl-phenol (6161-67-7)

Guidance literature:

With 20% palladium hydroxide-activated charcoal; hydrogen; In tetrahydrofuran; methanol; at 20 ℃; for 17h; under 760.051 Torr;

Reference yield:

4-Methyl-3-(2.2-dichlor-vinyl)-phenol (90348-56-4) → 3-ethyl-4-methyl-phenol (6161-67-7)

Guidance literature:

With hydrogen; platinum(IV) oxide; In methanol;

DOI:10.1021/jo01045a075

Reference yield:

4-methyl-3-(2,2,2-trichloroethyl)phenol (42203-95-2) → 3-ethyl-4-methyl-phenol (6161-67-7)

Guidance literature:

Multi-step reaction with 2 steps

1: piperidine

2: H₂ / PtO₂ / methanol

With piperidine; hydrogen; platinum(IV) oxide; In methanol;

DOI:10.1021/jo01045a075

upstream raw materials:

ethyl bromide

p-cresol

diethyl ether

1-ethoxy-4-methylbenzene

Downstream raw materials:

5-ethyl-4-methyl-2-piperidinomethyl-phenol

C₂₃H₂₆N₂O₃

Essigsaeure-<4-methyl-3-(2.2.2-trichlor-isopropyl)-phenylester>

4-Methyl-3-(2.2.2-trichlor-isopropyl)-phenol

Refernces

• 1、 -. "PHARMACEUTICALS COMPRISING BIARYL DERIVATIVES OR SALTS THEREOF". Paragraph 0581; 0582; 0583. . Retrieved 2018/10/24.