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Ethyl 2,4-dioxovalerate

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Name

Ethyl 2,4-dioxovalerate

EINECS 210-447-5
CAS No. 615-79-2 Density 1.115 g/cm3
PSA 60.44000 LogP 0.09770
Solubility Miscible with water, ether,chloroform, methanol and ethanol. Melting Point 16-18 °C(lit.)
Formula C7H10O4 Boiling Point 214.712 °C at 760 mmHg
Molecular Weight 158.154 Flash Point 85.755 °C
Transport Information N/A Appearance clear yellow liquid
Safety 23-24/25-26-36 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 615-79-2 (Ethyl 2,4-dioxovalerate) Hazard Symbols HarmfulXn
Synonyms

Ethylacetylpyruvate;Ethyl acetopyruvate;Ethyl 2,4-dioxopentanoate;NSC 1243;NSC 97434;Valericacid, 2,4-dioxo-, ethyl ester (6CI,7CI,8CI);2,4-Dioxopentanoic acid ethylester;Ethoxalylacetone;Ethyl (acetylmethyl)glyoxylate;

Article Data 42

Ethyl 2,4-dioxovalerate Specification

This chemical is called Ethyl 2,4-dioxovalerate, and its CAS registry number is 615-79-2. With the molecular formula of C7H10O4, its product categories are Small Molecule; Aliphatics; API Intermediates; Acids and Esters. In addition, this chemical should be sealed in the cool and dry place.

Other characteristics of the Ethyl 2,4-dioxovalerate can be summarised as followings: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 19.896; (4)ACD/KOC (pH 7.4): 4.737; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 5; (8)Polar Surface Area: 60.44 Å2; (9)Index of Refraction: 1.426; (10)Molar Refractivity: 36.313 cm3; (11)Molar Volume: 141.804 cm3; (12)Polarizability: 14.396×10-24cm3; (13)Surface Tension: 35.243 dyne/cm; (14)Density: 1.115 g/cm3; (15)Flash Point: 85.755 °C; (16)Enthalpy of Vaporization: 45.105 kJ/mol; (17)Boiling Point: 214.712 °C at 760 mmHg; (18)Vapour Pressure: 0.154 mmHg at 25°C.

Uses of this chemical: The 5-methyl-isoxazole-3-carboxylic acid ethyl ester could be obtained by the reactant of Ethyl 2,4-dioxovalerate. This reaction needs the reagent of NH2OH*HCl, and the solvent of ethanol. The yield is 82 %. This reaction should be taken for 3 hours. The other condition is heating.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating /harmful to eyes, respiratory system and skin. It causes burns. You should wear suitable protective clothing to avoid contacting with skin and eyes. Don't breathe vapour. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)C(=O)CC(=O)C
2.InChI: InChI=1/C7H10O4/c1-3-11-7(10)6(9)4-5(2)8/h3-4H2,1-2H3
3.InChIKey: OYQVQWIASIXXRT-UHFFFAOYAA

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