The 2-Ethyl-1,3-cyclopentanedione, with the CAS registry number 823-36-9, is also known as 1,3-Cyclopentanedione, 2-ethyl-. It belongs to the product categories of Miscellaneous; Ketone. Its EINECS number is 212-512-3. This chemical's molecular formula is C₇H₁₀O₂ and molecular weight is 126.15. What's more, its systematic name is 2-ethylcyclopentane-1,3-dione. When using it, you must avoid contact with eyes. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. Moreover, it should be protected from strong oxidants. It is used as a drug intermediate.

Physical properties of 2-Ethyl-1,3-cyclopentanedione are: (1)ACD/LogP: -0.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.25; (4)ACD/LogD (pH 7.4): -0.25; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.41; (8)ACD/KOC (pH 7.4): 17.41; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 32.64 cm³; (15)Molar Volume: 119.2 cm³; (16)Polarizability: 12.94×10^-24cm³; (17)Surface Tension: 34.4 dyne/cm; (18)Density: 1.057 g/cm³; (19)Flash Point: 84.8 °C; (20)Enthalpy of Vaporization: 46.96 kJ/mol; (21)Boiling Point: 232.9 °C at 760 mmHg; (22)Vapour Pressure: 0.0574 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-acetylcyclopentane-1,3-dione at the ambient temperature. This reaction will need reagents boron trifluoride etherate, triethylsilane and solvent trifluoroacetic acid. The yield is about 96%.

Uses of 2-Ethyl-1,3-cyclopentanedione: it can be used to produce 2-ethyl-3-pyrrolidin-1-yl-cyclopent-2-enone by heating. It will need reagent propanoic acid and solvent toluene with the reaction time of 6 hours. The yield is about 92%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCC(=O)C1CC
(2)Std. InChI: InChI=1S/C7H10O2/c1-2-5-6(8)3-4-7(5)9/h5H,2-4H2,1H3
(3)Std. InChIKey: YDFBIBUYOUFJMR-UHFFFAOYSA-N