4-Hydroxy-2,3,6-trimethylphenyl acetate

Base Information

• Chemical Name: 4-Hydroxy-2,3,6-trimethylphenyl acetate
• CAS No.: 36592-62-8
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• Hs Code.: 2915390090
• European Community (EC) Number: 253-121-8
• DSSTox Substance ID: DTXSID60190077
• Nikkaji Number: J332.322F
• Mol file: 36592-62-8.mol

Synonyms:4-Hydroxy-2,3,6-trimethylphenyl acetate;36592-62-8;(4-hydroxy-2,3,6-trimethylphenyl) acetate;4-Acetoxy-2,3,5-trimethylphenol;EINECS 253-121-8;SCHEMBL721909;DTXSID60190077;CHEBI:194834;Trimethylhydroquinone 1-monoacetate;4-acetoxy-2,3,5-trimethyl phenol;MFCD00179416;4-Acetoxy-2, 3, 5-trimethylphenol;A6460;CS-0069683

Chemical Property of 4-Hydroxy-2,3,6-trimethylphenyl acetate

Chemical Property:

• Vapor Pressure: 0.000631mmHg at 25°C
• Melting Point: 107.5oC
• Boiling Point: 300.4°C at 760 mmHg
• PKA: 10.20±0.41(Predicted)
• Flash Point: 124.2°C
• PSA: 46.53000
• Density: 1.114g/cm³
• LogP: 2.24270
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 215

Purity/Quality:

99% ^*data from raw suppliers

4-Acetoxy-2,3,5-trimethylphenol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1OC(=O)C)C)C)O

Technology Process of 4-Hydroxy-2,3,6-trimethylphenyl acetate

There total 11 articles about 4-Hydroxy-2,3,6-trimethylphenyl acetate 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: 99.7%

Trimethylhydroquinone (700-13-0) + acetic acid (64-19-7,77671-22-8) → 2,3,5-Trimethyl-1,4-benzoquinone (935-92-2) + 1,4-dimethoxy-2,3,5-trimethyl-benzene (4537-09-1) + 2,3,5-trimethyl-1,4-hydroquinone diacetate (7479-28-9) + 4-acetoxy-2,3,5-trimethylphenol (36592-62-8) + 4-methoxy-2,3,5-trimethylphenol (130422-86-5) + 1-acetoxy-4-methoxy-2,3,5-trimethylbenzene

Guidance literature:

With peracetic acid; at 50 ℃; for 0.25h; Product distribution; Kinetics; Thermodynamic data;

Reference yield: 99.5%

peracetic acid (79-21-0) + Trimethylhydroquinone (700-13-0) → 2,3,5-Trimethyl-1,4-benzoquinone (935-92-2) + 1,4-dimethoxy-2,3,5-trimethyl-benzene (4537-09-1) + 2,3,5-trimethyl-1,4-hydroquinone diacetate (7479-28-9) + 4-acetoxy-2,3,5-trimethylphenol (36592-62-8) + 4-methoxy-2,3,5-trimethylphenol (130422-86-5) + 1-acetoxy-4-methoxy-2,3,5-trimethylbenzene

Guidance literature:

sulfuric acid; at 50 ℃; for 0.5h; Mechanism; Thermodynamic data; effect of catalysts;

Reference yield: 97.8%

2,4,5-trimethylphenol (496-78-6) + acetic acid (64-19-7,77671-22-8) → 2,3,5-trimethyl-1,6-benzoquinone (13038-87-4) + 2,4,5-trimethyl-1-acetoxybenzene (69305-42-6) + 1-methoxy-2,4,5-trimethylbenzene (21573-38-6) + 4-acetoxy-2,3,5-trimethylphenol (36592-62-8) + 3-acetoxy-2,5-dihydroxy-5-carboxy-2,3,5-trimethylpentan-4-olide (109576-73-0)

Guidance literature:

With peracetic acid; at 50 ℃; for 0.25h; Product distribution; Kinetics; Thermodynamic data;

upstream raw materials:

2,3,5-Trimethyl-4-aminophenol

peracetic acid

Trimethylhydroquinone

2,3,5-Trimethyl-1,4-benzoquinone

Downstream raw materials:

2-(3,7-dimethyl-2,6-octadienyl)-3,5,6-trimethyl-1,4-benzoquinone

2-(3,7,11-trimethyl-2-dodecenyl)-3,5,6-trimethyl-1,4-benzoquinone

3,5,6-trimethyl-2-phytyl-1,4-benzoquinone

Acetic acid 2,3,6-trimethyl-4-((2E,6E,10E,14E,18E,22E,26E,30E)-3,7,11,15,19,23,27,31,35-nonamethyl-hexatriaconta-2,6,10,14,18,22,26,30,34-nonaenyloxy)-phenyl ester

Refernces

• 1、 -. "SUBSTITUTED PHENOLS AND THIOPHENOLS USEFUL AS ANTIOXIDANT AGENTS". . . Retrieved 2008/06/13.
• 2、 -. "Process for producing chromans". . . Retrieved 2008/06/13.