Ethyl 2-oxocyclopentylacetate

This chemical is called Ethyl 2-oxocyclopentylacetate, and its CAS registry number is 20826-94-2. With the molecular formula of C₉H₁₄O₃, its molecular weight is 170.21. Additionally, this chemical should be sealed at the temperature of 0-6 °C.

Other characteristics of the Ethyl 2-oxocyclopentylacetate can be summarised as followings: (1)ACD/LogP: 0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.59; (4)ACD/LogD (pH 7.4): 0.59; (5)ACD/BCF (pH 5.5): 1.64; (6)ACD/BCF (pH 7.4): 1.64; (7)ACD/KOC (pH 5.5): 49.62; (8)ACD/KOC (pH 7.4): 49.62; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 ?2; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 43.55 cm³; (15)Molar Volume: 159.2 cm³; (16)Polarizability: 17.26×10^-24cm³; (17)Surface Tension: 35.7 dyne/cm; (18)Density: 1.068 g/cm³; (19)Flash Point: 101.9 °C; (20)Enthalpy of Vaporization: 48.25 kJ/mol; (21)Boiling Point: 245.4 °C at 760 mmHg; (22)Vapour Pressure: 0.0288 mmHg at 25°C.

Production method of this chemical: The Ethyl 2-oxocyclopentylacetate could be obtained by the reactants of ethanol and (2-oxo-cyclopentyl)-acetic acid. This reaction needs the reagent of hydrogen chloride.

Uses of this chemical: The Ethyl 2-oxocyclopentylacetate could react with acetic acid anhydride, and obtain the (2-acetoxy-cyclopent-1-enyl)-acetic acid ethyl ester. This reaction needs the reagent of p-toluenesulfonic acid. The yield is 71 %. In addition, this reaction should be taken for 8 hours.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC)CC1C(=O)CCC1
2.InChI: InChI=1/C9H14O3/c1-2-12-9(11)6-7-4-3-5-8(7)10/h7H,2-6H2,1H3
3.InChIKey: PJMKFKUFBDXYEC-UHFFFAOYAY