The Isobutyl acetoacetate is an organic compound with the formula C₈H₁₄O₃. The systematic name of this chemical is isobutyl 3-oxobutanoate. With the CAS registry number 7779-75-1, it is also named as 2-Methylpropyl 3-oxobutyrate. The product's categories are Organics; C8 to C9; Carbonyl Compounds; Esters. Besides, it is used as intermediate for the production of pharmaceuticals (e.g. Nisoldipine).

Physical properties about Isobutyl acetoacetate are: (1)ACD/LogP: 1.60; (2)ACD/LogD (pH 5.5): 1.59; (3)ACD/LogD (pH 7.4): 1.59; (4)#H bond acceptors: 3; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 43.37 Å²; (7)Index of Refraction: 1.419; (8)Molar Refractivity: 40.87 cm³; (9)Molar Volume: 161.5 cm³; (10)Polarizability: 16.2×10^-24cm³; (11)Surface Tension: 29.8 dyne/cm; (12)Density: 0.979 g/cm³; (13)Flash Point: 78.3 °C; (14)Enthalpy of Vaporization: 43.56 kJ/mol; (15)Boiling Point: 199.4 °C at 760 mmHg; (16)Vapour Pressure: 0.342 mmHg at 25°C.

Preparation: this chemical can be prepared by diketene and 2-methyl-propan-1-ol. This reaction will need reagent triethylamine.

Uses of Isobutyl acetoacetate: it can be used to produce 3-ethylamino-but-2-enoic acid isobutyl ester at ambient temperature. It will need solvent H₂O with reaction time of 18 hours. The yield is about 70%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C)CC(=O)OCC(C)C
(2)InChI: InChI=1/C8H14O3/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3
(3)InChIKey: ZYXNLVMBIHVDRH-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H14O3/c1-6(2)5-11-8(10)4-7(3)9/h6H,4-5H2,1-3H3
(5)Std. InChIKey: ZYXNLVMBIHVDRH-UHFFFAOYSA-N