Ethyl diacetoacetate supplier

Name
Ethyl diacetoacetate
EINECS 210-053-3
CAS No. 603-69-0
Article Data44
CAS DataBase
Density 1.085 g/cm³
Solubility Not miscible in water.
Melting Point
Formula C₈H₁₂O₄
Boiling Point 210 °C at 760 mmHg
Molecular Weight 172.181
Flash Point 85 °C
Transport Information
Appearance clear colorless to yellow liquid
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
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;
PSA 60.44000
LogP 0.34370

Ethyl diacetoacetate 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

Product Name

Ethyl diacetoacetate

Ethyl diacetoacetate Specification

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