Ethoxyacetic acid

Base Information

• Chemical Name: Ethoxyacetic acid
• CAS No.: 627-03-2
• Molecular Formula: C4H8O3
• Molecular Weight: 104.106
• Hs Code.: 29189900
• European Community (EC) Number: 210-978-2
• NSC Number: 6750
• UN Number: 3265
• UNII: 467VW095BX
• DSSTox Substance ID: DTXSID7031294
• Nikkaji Number: J1.694B
• Wikidata: Q26841235
• Metabolomics Workbench ID: 44754
• ChEMBL ID: CHEMBL1159929
• Mol file: 627-03-2.mol

Synonyms:2-ethoxyacetic acid;ethoxyacetic acid

Chemical Property of Ethoxyacetic acid

Chemical Property:

• Appearance/Colour: clear slightly yellow liquid
• Vapor Pressure: 0.0958mmHg at 25°C
• Refractive Index: n20/D 1.419(lit.)
• Boiling Point: 206.5 °C at 760 mmHg
• PKA: 3.65(at 18℃)
• Flash Point: 93.1 °C
• PSA: 46.53000
• Density: 1.102 g/cm³
• LogP: 0.10750
• Storage Temp.: 2-8°C
• Water Solubility.: soluble
• XLogP3: 0
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 104.047344113
• Heavy Atom Count: 7
• Complexity: 60
• Transport DOT Label: Corrosive

Purity/Quality:

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

Ethoxyacetic Acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,Xi
• Hazard Codes: C,Xi
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Other Organic Compounds
• Canonical SMILES: CCOCC(=O)O
• Uses: Ethoxyacetic acid is used to evaluate toxicity in embryonic stem cell test in mice. It finds application as a biomarker of exposure to alkyl-substituted ethylene glycols and other aliphatic ethers. It is used as a precursor to prepare ethoxy-acetic acid ethoxymethyl ester.

Technology Process of Ethoxyacetic acid

There total 33 articles about Ethoxyacetic 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: 97.0%

2-ethoxy-ethanol (110-80-5) → 3-oxapentanoic acid (627-03-2)

Guidance literature:

With sodium persulfate; sodium bis(1,2-dicarbollyl)cobaltate(III); potassium carbonate; In water; for 8h; pH=7; Irradiation;

DOI:10.1002/chem.201905395

Reference yield: 76.0%

ethanol (64-17-5) + sodium monochloroacetic acid (3926-62-3) → 3-oxapentanoic acid (627-03-2)

Guidance literature:

ethanol; With sodium; at 60 ℃;

sodium monochloroacetic acid; With N-benzyl-N,N,N-triethylammonium chloride; for 8h; Reflux;

DOI:10.1016/j.tet.2015.12.046

Reference yield: 70.0%

sodium ethanolate (141-52-6) + chloroacetic acid (79-11-8) → 3-oxapentanoic acid (627-03-2)

Guidance literature:

In ethanol;

DOI:10.2174/1386207311316060009

upstream raw materials:

2-ethoxy-ethanol

2-ethoxyacetonitrile

ethoxyacetaldehyde

ethoxyethylamide

Downstream raw materials:

formaldehyd

formaldehyde diethyl acetal

ethanol

ethoxyacetyl chloride

Refernces

• 1、 Guerrero, Isabel,Kelemen, Zsolt,Romero, Isabel,Teixidor, Francesc,Vi?as, Clara. "Metallacarboranes as Photoredox Catalysts in Water". . p. 5027 - 5036. Retrieved 2020/04/22.
• 2、 -. "Novel impurity of tadalafil medicine, and preparation method and application of novel impurity". Paragraph 0011; 0077-0078. . Retrieved 2018/04/01.