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603-69-0

Basic Information
CAS No.: 603-69-0
Name: Ethyl diacetoacetate
Article Data: 44
Molecular Structure:
Molecular Structure of 603-69-0 (Ethyl diacetoacetate)
Formula: C8H12O4
Molecular Weight: 172.181
Synonyms: Acetoaceticacid, 2-acetyl-, ethyl ester (6CI,7CI,8CI);2-Acetyl-3-oxo-butyric acid ethylester;2-Acetyl-3-oxobutanoic acid ethyl ester;Ethyl 2-acetyl-3-oxobutyrate;Ethyl 2-acetylacetoacetate;Ethyl diacetoacetate;Ethyl diacetylacetate;NSC345;NSC 68058;
EINECS: 210-053-3
Density: 1.085 g/cm3
Boiling Point: 210 °C at 760 mmHg
Flash Point: 85 °C
Solubility: Not miscible in water.
Appearance: clear colorless to yellow liquid
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 60.44000
LogP: 0.34370
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  • Ethyldiacetoacetate

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    603-69-0

    Ethyldiacetoacetate

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    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

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  • Ethyl diacetoacetate

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    603-69-0

    Ethyl diacetoacetate

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  • Ethyl 2-acetylacetoacetate

  • Casno:

    603-69-0

    Ethyl 2-acetylacetoacetate

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Specification

This chemical is called Ethyl 2-acetylacetoacetate, and its CAS registry numbe is 603-69-0. With the molecular formula of C8H12O4, its molecular weight is 172.18. Additionally, its product categories are Pharmaceutical Intermediates; Acetics Acid and Esters; C8 to C9; Carbonyl Compounds.

Other characteristics of the Ethyl 2-acetylacetoacetate can be summarised as followings: (1)ACD/LogP: 2.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.46; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 43.57; (6)ACD/BCF (pH 7.4): 11.48; (7)ACD/KOC (pH 5.5): 513.34; (8)ACD/KOC (pH 7.4): 135.25; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 60.44 Å2; (13)Index of Refraction: 1.428; (14)Molar Refractivity: 40.9 cm3; (15)Molar Volume: 158.6 cm3; (16)Polarizability: 16.21×10-24cm3; (17)Surface Tension: 33.8 dyne/cm; (18)Density: 1.085 g/cm3; (19)Flash Point: 85 °C; (20)Enthalpy of Vaporization: 44.63 kJ/mol; (21)Boiling Point: 210 °C at 760 mmHg; (22)Vapour Pressure: 0.197 mmHg at 25°C.

Production method of this chemical: The Ethyl 2-acetylacetoacetate could be obtained by the reactants of acetoacetic acid ethyl ester and acetyl chloride. This reaction needs the reagent of magnesium, benzene. 

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. 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.InChI: InChI=1/C8H12O4/c1-4-12-8(11)7(5(2)9)6(3)10/h7H,4H2,1-3H3
2.Smiles: C(C(=O)OCC)(C(=O)C)C(=O)C