Ethyl phenoxyacetate

Base Information

• Chemical Name: Ethyl phenoxyacetate
• CAS No.: 2555-49-9
• Molecular Formula: C10H12O3
• Molecular Weight: 180.203
• Hs Code.: 29189900
• European Community (EC) Number: 219-867-3
• DSSTox Substance ID: DTXSID3062520
• Nikkaji Number: J141.456I
• Wikidata: Q72476617
• Mol file: 2555-49-9.mol

Synonyms:ETHYL PHENOXYACETATE;2555-49-9;ethyl 2-phenoxyacetate;Phenoxyacetic Acid Ethyl Ester;Acetic acid, phenoxy-, ethyl ester;Phenoxy-acetic acid ethyl ester;Phenoxy-d5-aceticAcidEthylEster;EINECS 219-867-3;MFCD00026895;Acetic acid, 2-phenoxy-, ethyl ester;AI3-04110;Phenoxyacetic acid, ethyl ester;Ethyl phenoxyacetate, 98%;SCHEMBL377638;DTXSID3062520;CAA55549;AKOS005068225;AS-57728;SY017862;CS-0037469;FT-0626232;FT-0626233;P1340;J-016045;J-521275

Chemical Property of Ethyl phenoxyacetate

Chemical Property:

• Appearance/Colour: Clear yellow liquid
• Vapor Pressure: 0.0246mmHg at 25°C
• Melting Point: 48 - 49oC
• Refractive Index: 1.5045-1.5065
• Boiling Point: 248.209 °C at 760 mmHg
• Flash Point: 97.423 °C
• PSA: 35.53000
• Density: 1.083 g/cm³
• LogP: 1.62850
• Water Solubility.: immiscible
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 180.078644241
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

98%,99%, ^*data from raw suppliers

Ethyl Phenoxyacetate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl phenoxyacetate

There total 41 articles about Ethyl phenoxyacetate 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: 96.0%

methyl phenyl carbonate (13509-27-8) + tetrabutyl phosphonium bromide (3115-68-2) + chloroacetic acid ethyl ester (105-39-5) → phenoxyacetic acid ethyl ester (2555-49-9)

Guidance literature:

Reference yield: 94.0%

ethyl iodide (75-03-6) + 2-phenoxyacetic acid (122-59-8) → phenoxyacetic acid ethyl ester (2555-49-9)

Guidance literature:

With cesium fluoride; In acetonitrile; for 1.5h; Heating;

DOI:10.1080/00397919808007177

Reference yield: 92.0%

ethanol (64-17-5) + 2-phenoxyacetic acid (122-59-8) → phenoxyacetic acid ethyl ester (2555-49-9)

Guidance literature:

With sulfuric acid; for 14h; Reflux;

DOI:10.1002/psc.1248

upstream raw materials:

ethanol

2-Phenoxyethansaeure-phenylester

sodium phenoxide

chloroacetic acid ethyl ester

Downstream raw materials:

4-Phenoxyacetessigsaeure-ethylester

phenoxy-acetic acid-(N'-methyl-hydrazide)

sodium 2-ethoxycarbonyl-2-phenoxyethenolate

dimethyl (3-phenoxy-2-oxopropyl)phosphonate

Refernces

• 1、 Zhao, Shuang,Wu, Yao,Hu, Lei. "Identification and synthesis of selective cholesterol esterase inhibitor using dynamic combinatorial chemistry". . . Retrieved 2021/12/04.
• 2、 Al-Ostoot, Fares Hezam,Sherapura, Ankith,V, Vigneshwaran,Basappa, Giridhara,H.K, Vivek,B.T, Prabhakar,Khanum, Shaukath Ara. "Targeting HIF-1α by newly synthesized Indolephenoxyacetamide (IPA) analogs to induce anti-angiogenesis-mediated solid tumor suppression". . p. 1328 - 1343. Retrieved 2021/05/03.