(2,4,6-Trimethyl-phenoxy)-acetic acid

Base Information

• Chemical Name: (2,4,6-Trimethyl-phenoxy)-acetic acid
• CAS No.: 13333-81-8
• Molecular Formula: C11H13O3-
• Molecular Weight: 194.23
• Hs Code.: 2918990090
• European Community (EC) Number: 850-134-6
• DSSTox Substance ID: DTXSID10357451
• Wikidata: Q82137355
• Mol file: 13333-81-8.mol

Synonyms:(2,4,6-Trimethyl-phenoxy)-acetic acid;13333-81-8;2-(2,4,6-trimethylphenoxy)acetic Acid;2-(Mesityloxy)acetic acid;Mesityloxyacetic acid;(Mesityloxy)acetic acid;Acetic acid, (2,4,6-trimethylphenoxy)-;2-(Mesityloxy)aceticacid;SCHEMBL2059355;DTXSID10357451;MFCD00224887;AKOS001043822;CS-0307700;EN300-05332;F83598;J-006353;Z56899215

Chemical Property of (2,4,6-Trimethyl-phenoxy)-acetic acid

Chemical Property:

• Vapor Pressure: 0.000163mmHg at 25°C
• Boiling Point: 317.3°C at 760 mmHg
• Flash Point: 121°C
• PSA: 46.53000
• LogP: 2.07520
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 191

Purity/Quality:

98%min ^*data from raw suppliers

2,4,6-TrimethylphenoxyaceticAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)C)OCC(=O)O)C
• Uses: 2,4,6-Trimethylphenoxyacetic Acid is a compound used in novel techniques for the synthesis of monofluoromethoxy arenes.

Technology Process of (2,4,6-Trimethyl-phenoxy)-acetic acid

There total 6 articles about (2,4,6-Trimethyl-phenoxy)-acetic acid 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: 70.0%

Mesitol (527-60-6) + chloroacetic acid (79-11-8) → 2,4,6-trimethylphenoxyacetic acid (13333-81-8)

Guidance literature:

With sodium hydroxide; In water;

DOI:10.1135/cccc19831089

Reference yield:

ethyl 2,4,6-trimethylphenyloxy acetate (224648-08-2) → 2,4,6-trimethylphenoxyacetic acid (13333-81-8)

Guidance literature:

With lithium hydroxide; In tetrahydrofuran;

DOI:10.1016/S0960-894X(02)00134-8

Reference yield:

Mesitol (527-60-6) → 2,4,6-trimethylphenoxyacetic acid (13333-81-8)

Guidance literature:

upstream raw materials:

Mesitol

chloroacetic acid

ethyl 2,4,6-trimethylphenyloxy acetate

Downstream raw materials:

R,S-N-(2-hydroxy-2-phenylethyl)-2-(mesityloxy)acetamide

2-(fluoromethoxy)-1,3,5-trimethylbenzene

2-(mesityloxy)-N-[4-(2-nitrophenyl)-1H-imidazol-2-yl]acetamide

tert-butyl imino{[(mesityloxy)acetyl]amino}methylcarbamate