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542-10-9

Basic Information
CAS No.: 542-10-9
Name: Ethylidene diacetate
Article Data: 93
Molecular Structure:
Molecular Structure of 542-10-9 (Ethylidene diacetate)
Formula: C6H10O4
Molecular Weight: 146.143
Synonyms: 1,1-Ethanediol,diacetate (6CI,7CI,8CI,9CI);1,1-Diacetoxyethane;Ethylidene acetate;Ethylidene diacetate;NSC 8852;
EINECS: 208-800-3
Density: 1.083 g/cm3
Melting Point: 18.85°C
Boiling Point: 168 °C at 760 mmHg
Flash Point: 78.2 °C
Solubility: Slightly soluble in water
Appearance: clear colorless liquid
Risk Codes: 10
Safety: 24/25
Transport Information: 3272
PSA: 52.60000
LogP: 0.45860
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Specification

This chemical is called Ethylidene diacetate, and it can also be named as 1,1-Ethanediol diacetate. With the molecular formula of C6H10O4, its molecular weight is 146.14. The CAS registry number of this chemical is 542-10-9. Additionally, this chemical is clear colorless liquid. It should be stored sealed in the cool and dry plcace.

Other characteristics of the Ethylidene diacetate can be summarised as followings: (1)ACD/LogP: 0.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.04; (4)ACD/LogD (pH 7.4): 0.04; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.01; (8)ACD/KOC (pH 7.4): 25.01; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å2; (13)Index of Refraction: 1.408; (14)Molar Refractivity: 33.35 cm3; (15)Molar Volume: 134.9 cm3; (16)Polarizability: 13.22×10-24cm3; (17)Surface Tension: 30.7 dyne/cm; (18)Density: 1.083 g/cm3; (19)Flash Point: 78.2 °C; (20)Enthalpy of Vaporization: 40.44 kJ/mol; (21)Boiling Point: 168 °C at 760 mmHg; (22)Vapour Pressure: 1.65 mmHg at 25°C.

Production method of this chemical: The Ethylidene diacetate could be obtained by the reactants of acetic acid anhydride and acetaldehyde. This reaction needs the catalyst of nafion-H. The yield is 90 %. In addition, this reaction should be taken for 3 hours at the ambient temperature.

Uses of this chemical: The Ethylidene diacetate could react with hydrocyanic acid; potassium salt, and obtain the 2-acetoxy-propionitrile. This reaction needs the solvent of dimethylsulfoxide. The yield is 87 %. In additon, this reaction should be taken at the temperature of 20 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is flammable. Keep it away from fire. Avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure: 
1.InChI: InChI=1/C6H10O4/c1-4(7)9-6(3)10-5(2)8/h6H,1-3H3
2.Smiles: C(C)(OC(C)=O)OC(C)=O