Ethyl (4-methylphenoxy)acetate

Base Information

• Chemical Name: Ethyl (4-methylphenoxy)acetate
• CAS No.: 67028-40-4
• Molecular Formula: C11H14O3
• Molecular Weight: 194.23
• European Community (EC) Number: 266-554-2
• UNII: B0Y0J494AJ
• DSSTox Substance ID: DTXSID8047428
• Nikkaji Number: J59.925E
• Wikidata: Q27274230
• Metabolomics Workbench ID: 46422
• ChEMBL ID: CHEMBL3186260
• Mol file: 67028-40-4.mol

Synonyms:Ethyl (4-methylphenoxy)acetate;67028-40-4;ethyl 2-(4-methylphenoxy)acetate;Ethyl (p-tolyloxy)acetate;Ethyl p-cresoxyacetate;ethyl 4-methylphenoxyacetate;Ethyl P-tolyloxyacetate;(4-Methylphenoxy) acetic acid ethyl ester;FEMA No. 3157;Acetic acid, (4-methylphenoxy)-, ethyl ester;Acetic acid, p-tolyloxy-, ethyl ester;Acetic acid, 2-(4-methylphenoxy)-, ethyl ester;cherry oxyacetate;(4-methylphenoxy)acetic acid ethyl ester;EINECS 266-554-2;ETHYL 2-(P-TOLYLOXY)ACETATE;UNII-B0Y0J494AJ;AI3-11229;B0Y0J494AJ;DTXSID8047428;p-Tolyloxyacetic acid ethyl ester;SCHEMBL1107148;CHEMBL3186260;DTXCID6027428;FEMA 3157;CHEBI:168029;p-Tolyloxy-acetic acid ethyl ester;ETHYL2-(P-TOLYLOXY)ACETATE;Tox21_302634;MFCD00209535;STK443755;AKOS003329236;AB04789;NCGC00256880-01;AS-60221;ETHYL (P-TOLYLOXY)ACETATE [FHFI];CAS-67028-40-4;LS-179941;CS-0315685;E1015;D78583;Q27274230

Chemical Property of Ethyl (4-methylphenoxy)acetate

Chemical Property:

• Vapor Pressure: 0.00653mmHg at 25°C
• Refractive Index: n20/D 1.502(lit.)
• Boiling Point: 142-142°C 11mm
• Flash Point: 113 °C
• PSA: 35.53000
• Density: 1.078 g/mL at 25 °C(lit.)
• LogP: 1.93690
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 194.094294304
• Heavy Atom Count: 14
• Complexity: 171

Purity/Quality:

99.9% ^*data from raw suppliers

Ethyl (4-Methylphenoxy)acetate >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=CC=C(C=C1)C

Technology Process of Ethyl (4-methylphenoxy)acetate

There total 14 articles about Ethyl (4-methylphenoxy)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: 91.0%

diazoacetic acid ethyl ester (623-73-4) + p-cresol (106-44-5) → ethyl (4-methylphenoxy)acetate (67028-40-4)

Guidance literature:

methyltrioxorhenium(VII); In benzene; for 48h; Ambient temperature;

DOI:10.1021/ja954039t

Reference yield: 90.0%

p-cresol (106-44-5) + ethyl bromoacetate (105-36-2) → ethyl (4-methylphenoxy)acetate (67028-40-4)

Guidance literature:

With potassium carbonate; In acetone; Reflux;

Reference yield: 88.0%

p-cresol (106-44-5) + chloroacetic acid ethyl ester (105-39-5) → ethyl (4-methylphenoxy)acetate (67028-40-4)

Guidance literature:

With potassium carbonate; In acetone; for 10h; Reflux;

DOI:10.1016/j.biopha.2017.08.105

upstream raw materials:

2-(4-methylphenoxy)acetic acid

p-cresol

chloroacetic acid ethyl ester

ethyl iodide

Downstream raw materials:

4-methylphenoxyacetyl hydrazide

N,N'-bis-p-tolyloxyacetyl-hydrazine

2-(p-methylphenoxy)acetohydroxamic acid

4-methylphenoxyacetamide