Ethyl ethoxyacetate

Base Information

• Chemical Name: Ethyl ethoxyacetate
• CAS No.: 817-95-8
• Molecular Formula: C6H12O3
• Molecular Weight: 132.159
• Hs Code.: 29189900
• European Community (EC) Number: 212-447-0
• NSC Number: 83555
• UNII: 4K9WJ82YM6
• DSSTox Substance ID: DTXSID0061161
• Nikkaji Number: J132.671F
• Wikidata: Q63392344
• Mol file: 817-95-8.mol

Synonyms:Ethyl ethoxyacetate;Ethyl 2-ethoxyacetate;817-95-8;Acetic acid, ethoxy-, ethyl ester;Ethoxyacetic acid ethyl ester;Ethoxyacetic acid, ethyl ester;Acetic acid, 2-ethoxy-, ethyl ester;Ethoxyacetic acid-ethyl ester;4K9WJ82YM6;EINECS 212-447-0;NSC 83555;NSC-83555;AI3-52223;Ethylethoxyacetate;Ethoxy-acetic acid ethyl ester;ethyl ethoxylacetate;Ethyl2-ethoxyacetate;Ethyl ethoxyacetate, 98%;Ethyl Ethoxyacetate, Tech.;UNII-4K9WJ82YM6;SCHEMBL123093;DTXSID0061161;EThyl ester of ethoxyacetic acid;AMY4116;NSC83555;MFCD00040492;AKOS005202722;BS-17605;.ALPHA.-ETHOXYACETIC ACID ETHYL ESTER;CS-0151430;E1237;FT-0626181;Ethyl ethoxyacetate, purum, >=97.5% (GC);D81905;A840197;W-104198;Q63392344

Chemical Property of Ethyl ethoxyacetate

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 2.68mmHg at 25°C
• Refractive Index: n20/D 1.402(lit.)
• Boiling Point: 158 °C at 760 mmHg
• Flash Point: 48.3 °C
• PSA: 35.53000
• Density: 0.975 g/cm³
• LogP: 0.58600
• Storage Temp.: Flammables area
• Water Solubility.: insoluble
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 132.078644241
• Heavy Atom Count: 9
• Complexity: 80.4

Purity/Quality:

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

Ethyl Ethoxyacetate >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:
• Hazard Codes: R10:
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCOCC(=O)OCC
• Uses: Ethyl ethoxyacetate may be used in the preparation of ethoxyacetylacetone.

Technology Process of Ethyl ethoxyacetate

There total 76 articles about Ethyl ethoxyacetate 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:

ethoxyacetyl chloride (14077-58-8) + butyl zinc (1+); iodide → 1-ethoxypentane (17952-11-3) + 1-ethoxy-2-hexanone (101714-28-7) + ethyl 2-ethoxyethanoate (817-95-8)

Guidance literature:

Reference yield:

diiodomethane (75-11-6) + carbon monoxide (201230-82-2) + orthoformic acid triethyl ester (122-51-0) → formaldehyde diethyl acetal (462-95-3) + ethyl 2-ethoxyethanoate (817-95-8) + ethyl acetate (141-78-6) + ethyl iodoacetae (623-48-3) + diethyl malonate (105-53-3)

Guidance literature:

With triphenylphosphine; chloro(1,5-cyclooctadiene)rhodium(I) dimer; at 120 ℃; for 12h; under 76000 Torr; Product distribution; Parr autoclave; different base concentrations; other base or without it; further catalysts;

DOI:10.1016/0022-328X(96)06349-8

Reference yield:

diiodomethane (75-11-6) + ethanol (64-17-5) + carbon monoxide (201230-82-2) → formaldehyde diethyl acetal (462-95-3) + ethyl 2-ethoxyethanoate (817-95-8) + ethyl acetate (141-78-6) + ethyl iodoacetae (623-48-3) + diethyl malonate (105-53-3)

Guidance literature:

chloro(1,5-cyclooctadiene)rhodium(I) dimer; at 120 ℃; for 12h; under 76000 Torr; Product distribution; Parr autoclave;

DOI:10.1016/0022-328X(96)06349-8

upstream raw materials:

diazoacetic acid ethyl ester

ethanol

chloroform

toluene-4-sulfonic acid

Downstream raw materials:

1-ethoxy-3-[2]pyridyl-acetone

ethyl bromide

acetoxy-acetic acid ethyl ester

ethyl acetate

Refernces

• 1、 Shimizu, Makoto,Sahara, Tetsuya. "Use of α-Allyloxy-Α-trimethylsilyloxyacetate for Reductive Imino Aldol Reaction Promoted by Titanium Tetraiodide: A Rapid Access to β-Amino-α-hydroxy Esters". . p. 888 - 889. Retrieved 2002.
• 2、 Cai, Zhenping,Long, Jinxing,Li, Yingwen,Ye, Lin,Yin, Biaolin,France, Liam John,Dong, Juncai,Zheng, Lirong,He, Hongyan,Liu, Sijie,Tsang, Shik Chi Edman,Li, Xuehui. "Selective Production of Diethyl Maleate via Oxidative Cleavage of Lignin Aromatic Unit". supporting information. p. 2365 - 2377. Retrieved 2019/09/10.
• 3、 Brenna, Stefano,Ardizzoia, G. Attilio. "Carbene Transfer and Carbene Insertion Reactions Catalyzed by a Mixed-Ligand Copper(I) Complex". . p. 3336 - 3342. Retrieved 2018/07/13.