2-Oxoethyl acetate

Base Information

• Chemical Name: 2-Oxoethyl acetate
• CAS No.: 5371-49-3
• Molecular Formula: C4H6O3
• Molecular Weight: 102.09
• Hs Code.: 2915390090
• European Community (EC) Number: 848-038-4
• DSSTox Substance ID: DTXSID90455646
• Nikkaji Number: J847.370F
• Wikidata: Q82277739
• Mol file: 5371-49-3.mol

Synonyms:2-oxoethyl acetate;Acetyloxyacetaldehyde;5371-49-3;2-(acetyloxy)Acetaldehyde;Acetaldehyde, (acetyloxy)-;acetic acid 2-oxo-ethyl ester;acetoxyacetaldehyde;acetaldehyde acetate;SCHEMBL208358;DTXSID90455646;GUPGZURVZDIQPM-UHFFFAOYSA-N;AKOS005068230;FT-0702309;EN300-2065120;A929883

Chemical Property of 2-Oxoethyl acetate

Chemical Property:

• Vapor Pressure: 9.442mmHg at 25°C
• Melting Point: 208 °C
• Refractive Index: 1.389
• Boiling Point: 131.053 °C at 760 mmHg
• Flash Point: 38.946 °C
• PSA: 43.37000
• Density: 1.071 g/cm³
• LogP: -0.25160
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 102.031694049
• Heavy Atom Count: 7
• Complexity: 77

Purity/Quality:

99%, ^*data from raw suppliers

ACETYLOXYACETALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCC=O

Technology Process of 2-Oxoethyl acetate

There total 7 articles about 2-Oxoethyl 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:

(E)-2-hexen-1-yl acetate (2497-18-9) → Glyoxal (131543-46-9,107-22-2) + ethylglyoxal (4417-81-6) + acetoxyacetaldehyde (5371-49-3) + acetaldehyde (75-07-0,9002-91-9) + propionaldehyde (123-38-6) + butyraldehyde (123-72-8)

Guidance literature:

With ozone; at 14.3 - 15.4 ℃; under 760 Torr; Rate constant; Kinetics; Product distribution;

DOI:10.1002/(SICI)1097-4601(1996)28:5<373::AID-KIN6>3.0.CO;2-S

Reference yield:

Allyl acetate (591-87-7) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + formyl chloride (2565-30-2) + acetoxyacetaldehyde (5371-49-3) + carbon monoxide (201230-82-2) + acetic acid (64-19-7,77671-22-8) + formyl acetic anhydride (2258-42-6)

Guidance literature:

With chlorine; at 22.84 ℃; for 0.0833333h; under 760.051 Torr; Irradiation;

DOI:10.1039/c5ra04975j

Reference yield:

Allyl acetate (591-87-7) → formaldehyd (50-00-0,30525-89-4,61233-19-0) + acetoxyacetaldehyde (5371-49-3)

Guidance literature:

With dihydrogen peroxide; at 24.84 ℃; under 760.051 Torr; Kinetics; Irradiation;

DOI:10.1021/acs.jpca.7b10599

upstream raw materials:

(E)-2-hexen-1-yl acetate

ethyl acetate

Ethyl propionate

Allyl acetate

Downstream raw materials:

ethyl 4-acetoxy-3-hydroxy-2-methyl-2-(phenylthio)butyrate

(E)-4-acetoxy-2-methylcrotonaldehyde

(Z)-4-Acetoxy-2-methyl-2-butenal

Acetic acid (2E,8E,10E)-(5S,6R,7R)-6-benzyloxy-14-(tert-butyl-diphenyl-silanyloxy)-7-methoxymethoxy-5-methyl-4-oxo-tetradeca-2,8,10-trienyl ester

Refernces

• 1、 Blanco, María B.,Bejan, Iustinian,Barnes, Ian,Wiesen, Peter,Teruel, Mariano A.. "Tropospheric chemical degradation of vinyl and allyl acetate initiated by Cl atoms under high and low NOx conditions". . p. 48154 - 48163. Retrieved 2015/06/16.
• 2、 Picquet-Varrault,Doussin,Durand-Jolibois,Carlier. "FTIR spectroscopic study of the OH-induced oxidation of two linear acetates: Ethyl and n-propyl acetates". . p. 2595 - 2606. Retrieved 2007/10/03.