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Ethyl 2,4-dioxohexanoate

Ethyl 2,4-dioxohexanoate structure

CAS No:
13246-52-1
Formula:
C8H12O4
Chemical Name:
Ethyl 2,4-dioxohexanoate
Synonyms:
Hexanoic acid,2,4-dioxo-,ethyl ester;Ethyl 2,4-dioxohexanoate;Ethyl propionylpyruvate;Ethyl β-propionylpyruvate;2,4-Dioxohexanoic acid ethyl ester
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Colorless liquid

Ethyl 2,4-dioxohexanoate is a 3-acylpyruvic acid.

Ethyl 2,4-dioxohexanoate Basic Attributes

Molecular Weight：

172.18

Exact Mass：

172.18

EC Number：

236-228-4

UNII：

9064NS087D

DSSTox ID：

DTXSID7065382

HScode：

2918300090

Characteristics

PSA：

60.4

XLogP3：

0.7

Density：

1.087g/ml

Boiling Point：

128-129 °C @ Press: 11 Torr

Flash Point：

95.4±19.9 °C

Refractive Index：

1.431

Water Solubility：

4.662e+005 mg/L @ 25 °C (est)

Vapor Pressure：

0.0548mmHg at 25°C

Safety Information

Precautionary statement(s)：

P210, P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501

Hazard Statements：

H227

GHS Classification：

Not Classified

Ethyl 2,4-dioxohexanoate Use and Manufacturing

Methods of Manufacturing

It is synthesized from methyl ethyl ketone and ethyl oxalate.

Uses

Ethyl propionylpyruvate is an intermediate in the synthesis of acaricide pymetrozine.

Manufacturing Info：

Hexanoic acid, 2,4-dioxo-, ethyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:172.18
XLogP3:0.7
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:172.07355886
Monoisotopic Mass:172.07355886
Topological Polar Surface Area:60.4
Heavy Atom Count:12
Complexity:195
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Magnesium sulfate heptahydrate

Diethyl oxalate

Recommended Suppliers of Ethyl 2,4-dioxohexanoate

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Ethyl 2,4-dioxohexanoate

CAS No.: 13246-52-1

Content: 99.00%

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Guide of Ethyl 2,4-dioxohexanoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
Learn More Other Chemicals

Ethyl 2,4-dioxohexanoate

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