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Monoethyl oxalate

Monoethyl oxalate structure

CAS No:
617-37-8
Formula:
C4H6O4
Chemical Name:
Monoethyl oxalate
Synonyms:
Ethanedioic acid,1-ethyl ester;Oxalic acid,monoethyl ester;Ethanedioic acid,monoethyl ester;Oxalic acid,ethyl ester;Ethyl hydrogen oxalate;Monoethyl oxalate;2-Ethoxy-2-oxoacetic acid
Categories:
Chemical Reagents > Organic Reagents

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Monoethyl oxalate Basic Attributes

Molecular Weight：

118.09

Exact Mass：

118.09

DSSTox ID：

DTXSID00275731

HScode：

2918990090

Characteristics

PSA：

63.6

XLogP3：

0.4

Density：

1.3±0.1 g/cm3

Melting Point：

195 °C (decomp)

Boiling Point：

204.7ºC at 760 mmHg

Flash Point：

89.3±16.1 °C

Refractive Index：

1.430

Safety Information

Transport codes：

NONH for all modes of transport

Precautionary statement(s)：

P261-P305 + P351 + P338-P342 + P311

Hazard Statements：

H319-H334

GHS Classification：

|Danger|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P261, P264, P280, P285, P304+P341, P305+P351+P338, P337+P313, P342+P311, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Monoethyl oxalate Use and Manufacturing

Reference Example 4 Preparation of monoethyl oxalate A reaction flask equipped with a condenser, a thermometer and a stirrer was charged with 1, 461 g (1.0 mol) of diethyl oxalate, 4.38 g of p-toluenesulfonic acid and 400 ml of dioxane, and refluxed for 4 hours. Then, it was distilled at a reduced pressure to obtain 133.4 g of monoethyl oxalate having a boiling point of 107 C / 1600 Pa (12 MmHg).Example 8.36a. Synthesis of 2-efhoxy-2-oxoacetic acidA solution of diethyl oxalate (20 g, 0.137 mmol) and K2CO3 (10 g, 0.072 mmol) in water was stirred at 50 C for 6 h. After cooling to room temperature, the suspension was filtered, acidified to pH 3-4 with 4 N HCl, and extracted with EtOAc (5 x 100 mL). The combined organic layers were washed with brine and dried over anhydrous sodium sulfate. After filtration, the solution was concentrated to give 7 g of the desired product, which was directly used for the next step without further purification.

Computed Properties

Molecular Weight:118.09
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:118.02660867
Monoisotopic Mass:118.02660867
Topological Polar Surface Area:63.6
Heavy Atom Count:8
Complexity:107
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Oxalic acid 1-ethyl ester

CAS No.: 617-37-8

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617-37-8 2-ethoxy-2-oxoacetic acid

CAS No.: 617-37-8

Grade: Industrial Grade

Content: 95%

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