Ethyl 2,4-diketocaproate

Name	ethyl 2,4-dioxohexanoate
Synonyms	FEMA No. 3278 AKOS MSC-0253 2,4-dioxohexanoate Ethyl 2,4-diketocaproate Ethyl 2,4-dioxohexanoate ETHYL PROPIONYL PYRUVATE ethyl 2,4-dioxohexanoate ethyl propionyl pyruvate Ethyl beta-propionylpyruvate 2-Oxopentanoic propionic anhydride 2,4-Dioxohexanoic acid, ethyl ester 2,4-Dioxo-hexanoic acid ethyl ester Hexanoic acid, 2,4-dioxo-, ethyl ester
CAS	13246-52-1
EINECS	236-228-4
InChI	InChI=1/C8H12O4/c1-3-6(9)5-7(10)8(11)12-4-2/h3-5H2,1-2H3

Molecular Formula	C8H12O4
Molar Mass	172.18
Density	1.087g/ml
Boling Point	128-129 °C(Press: 11 Torr)
Flash Point	95.4°C
JECFA Number	603
Vapor Presure	0.0548mmHg at 25°C
pKa	6.75±0.46(Predicted)
Storage Condition	2-8°C
Refractive Index	1.43
Physical and Chemical Properties	Boiling point 100~105 ℃(800Pa).

Toxicity

GRAS(FEMA)。

toxicity	GRAS(FEMA).
usage limit	FEMA(mg/kg): Beverage 15; Gummy 20; Baked goods, Hard Candy, 120; dairy products, peppermint oil, 10; Syrup 60; Jelly 30.
Chemical properties	boiling point 100~105 ℃(800Pa).
Use	food flavor. ethyl propionyl pyruvate is an intermediate for the synthesis of the acaricide Piramide.
production method	propionyl pyruvate ethyl ester is prepared from diethyl oxalate and butanone as raw materials. Add 6.3g of metallic sodium into 140ml of anhydrous ethanol in portions. After all the sodium is dissolved, add 36.5g of a mixture of diethyl oxalate and 18.0g of butanone Dropwise at about 0 ℃, add it within 1H, and continue to stir for reaction, the disappearance of diethyl oxalate was confirmed as the end point of the reaction by gas chromatography. The reactants were slowly poured into a mixture of 30g of sulfuric acid and 200g of crushed ice, and extracted with chloroform (60ml × 3). The extract was dried over anhydrous magnesium sulfate and desolved, followed by distillation under reduced pressure, fractions of 98-104 °c (1.07-1.33kPa) were collected to give 34.2g of a bright yellow liquid in 80% yield. synthesized from methyl ethyl ketone and ethyl oxalate.
EPA chemical substance information	information is provided by: ofmpeb.epa.gov (external link)

Last Update：2024-04-09 15:16:40

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