The 2, 3-Octanedione, with the CAS registry number of 585-25-1, is also known as Pentylmethyl diketone. Its EINECS registry number is 209-552-9. This chemical's molecular formula is C₈H₁₄O₂ and molecular weight is 142.2. What's more, its IUPAC name is Octane-2, 3-dione.

Physical properties about 2, 3-Octanedione are: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.79; (4)ACD/LogD (pH 7.4): 0.79; (5)ACD/BCF (pH 5.5): 2.36; (6)ACD/BCF (pH 7.4): 2.36; (7)ACD/KOC (pH 5.5): 64.37; (8)ACD/KOC (pH 7.4): 64.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.419; (14)Molar Refractivity: 39.17 cm³; (15)Molar Volume: 154.8 cm³; (16)Surface Tension: 29.4 dyne/cm; (17)Density: 0.918 g/cm³; (18)Flash Point: 56.5 °C; (19)Enthalpy of Vaporization: 40.93 kJ/mol; (20)Boiling Point: 173 °C at 760 mmHg; (21)Vapour Pressure: 1.3 mmHg at 25 °C.

Preparation: this chemical is prepared by 1-(3-Butyl-oxiranyl)-ethanone at ambient temperature. The reaction needs reagent <(CH₃)₂CHO>₂TiCl₂ and solvent Diethyl ether. The reaction time is 3 hours. The yield is about 54 %.

Uses: it is used to produce other chemicals. For example, it is used to produce 2, 2, 3, 3-Tetrafluoro-octane in an autoclave. This reaction needs reagent SF₄/HF (l). The reaction time is 2 hours with reaction temperature of 15 °C. The yield is about 82 %.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(C(=O)CCCCC)C
(2) InChI: InChI=1/C8H14O2/c1-3-4-5-6-8(10)7(2)9/h3-6H2,1-2H3
(3) InChIKey: XCBBNTFYSLADTO-UHFFFAOYAO