1-(4-Hydroxy-2,3,5-trimethylphenyl)ethanone

Base Information

• Chemical Name: 1-(4-Hydroxy-2,3,5-trimethylphenyl)ethanone
• CAS No.: 61405-64-9
• Molecular Formula: C₁₁H₁₄O₂
• Molecular Weight: 178.231
• DSSTox Substance ID: DTXSID50412518
• Wikidata: Q82219918
• Mol file: 61405-64-9.mol

Synonyms:61405-64-9;1-(4-hydroxy-2,3,5-trimethylphenyl)ethan-1-one;1-(4-hydroxy-2,3,5-trimethylphenyl)ethanone;Ethanone, 1-(4-hydroxy-2,3,5-trimethylphenyl)-;SCHEMBL13080819;DTXSID50412518;AKOS017516474;CS-0274796;EN300-1276497

Chemical Property of 1-(4-Hydroxy-2,3,5-trimethylphenyl)ethanone

Chemical Property:

• Melting Point: 132–133°C
• PSA: 37.30000
• LogP: 2.52000
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1O)C)C)C(=O)C

Technology Process of 1-(4-Hydroxy-2,3,5-trimethylphenyl)ethanone

There total 3 articles about 1-(4-Hydroxy-2,3,5-trimethylphenyl)ethanone 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:

4-(1-Hydroxy-ethyl)-2,3,6-trimethyl-phenol (76325-17-2) → 4-Acetyl-2,3,6-trimethyl-phenol (61405-64-9) + 4-Ethyl-2,3,6-trimethyl-phenol

Guidance literature:

aluminum oxide; under 5 Torr; Yield given. Yields of byproduct given; Heating;

DOI:10.1246/cl.1980.793

Reference yield:

2,3,6-trimethylphenyl acetate (62687-45-0) → 4-Acetyl-2,3,6-trimethyl-phenol (61405-64-9)

Guidance literature:

With aluminium trichloride;

DOI:10.1039/jr9600001625

Reference yield:

→ 4-Acetyl-2,3,6-trimethyl-phenol (61405-64-9)

Guidance literature:

Keton I, Pd-BaSO4;

upstream raw materials:

2,3,6-trimethylphenyl acetate

4-(1-Hydroxy-ethyl)-2,3,6-trimethyl-phenol

Downstream raw materials:

4-(1-Hydroxy-ethyl)-2,3,6-trimethyl-phenol