1,2-Ethanediol, acetate formate

Base Information

• Chemical Name: 1,2-Ethanediol, acetate formate
• CAS No.: 29776-97-4
• Molecular Formula: C5H8 O4
• Molecular Weight: 132.116
• DSSTox Substance ID: DTXSID70885462
• Nikkaji Number: J422.234B
• Wikidata: Q82864089
• Mol file: 29776-97-4.mol

Synonyms:1,2-Ethanediol, acetate formate;29776-97-4;1,2-Ethanediol, 1-acetate 2-formate;Ethanediol, acetate, formate;SCHEMBL1254465;DTXSID70885462;1,2-Ethanediyl 1-acetate 2-formate

Chemical Property of 1,2-Ethanediol, acetate formate

Chemical Property:

• Vapor Pressure: 1.1mmHg at 25°C
• Boiling Point: 176.3°Cat760mmHg
• Flash Point: 83.2°C
• PSA: 52.60000
• Density: 1.117g/cm³
• LogP: 0.35840
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 132.04225873
• Heavy Atom Count: 9
• Complexity: 99.1

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCOC=O

Technology Process of 1,2-Ethanediol, acetate formate

There total 2 articles about 1,2-Ethanediol, acetate formate 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: 80.0%

2-methyl-1,3-dioxolane (497-26-7) → 1,2-ethanediol acetate formate (29776-97-4) + ethylene glycol mono caprylate (4219-47-0,42131-42-0)

Guidance literature:

With oxygen; zinc(II) chloride; CoCl₂; In 1,2-dimethoxyethane; at 55 ℃; for 41h;

Reference yield:

2-ethoxyethyl acetate (111-15-9) → 1,2-ethanediol acetate formate (29776-97-4) + ethylene glycol diacetate (111-55-7,27252-83-1) + formic acid ethyl ester (109-94-4)

Guidance literature:

With methyl nitrite; nitrogen(II) oxide; In gas; at 25 ℃; Product distribution; Rate constant; Irradiation; gas-phase reaction of 2-ethoxyethyl acetate with generated hydroxy radicals; proposed reaction mechanism;

DOI:10.1002/(SICI)1097-4601(1996)28:7<475::AID-KIN1>3.0.CO;2-S

upstream raw materials:

2-methyl-1,3-dioxolane

2-ethoxyethyl acetate

Refernces

• 1、 Li, Pei,Alper, Howard. "Cobalt(II) catalyzed oxidation of 2-substituted 1,3-dioxolanes with molecular oxygen". . p. 84 - 89. Retrieved 2007/10/02.