The IUPAC name of Acetoxyacetone is 2-oxopropyl acetate. With the CAS registry number 592-20-1, it is also named as 1-Hydroxy-2-propanone acetate. The product's categories are Acetyl Group; Ester Flavor. Besides, it is clear pale yellow to amber liquid, which should be stored in refrigerator. When you are using this chemical, please do not breathe vapour. And you should avoid contact with skin and eyes. In addition, its molecular formula is C₅H₈O₃ and molecular weight is 116.11.

The other characteristics of this product can be summarized as: (1)EINECS: 209-746-3; (2)ACD/LogP: 0.33; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0.33; (5)ACD/LogD (pH 7.4): 0.33; (6)ACD/BCF (pH 5.5): 1.05; (7)ACD/BCF (pH 7.4): 1.05; (8)ACD/KOC (pH 5.5): 36.15; (9)ACD/KOC (pH 7.4): 36.15; (10)#H bond acceptors: 3; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 3; (13)Polar Surface Area: 43.37 Å²; (14)Index of Refraction: 1.399; (15)Molar Refractivity: 27.01 cm³; (16)Molar Volume: 111.6 cm³; (17)Polarizability: 10.71×10^-24cm³; (18)Surface Tension: 29.7 dyne/cm; (19)Density: 1.039 g/cm³; (20)Flash Point: 51.9 °C; (21)Enthalpy of Vaporization: 39.05 kJ/mol; (22)Boiling Point: 153.7 °C at 760 mmHg; (23)Vapour Pressure: 3.29 mmHg at 25 °C.

Preparation of Acetoxyacetone: this chemical can be prepared by the reaction of cyclohexanone with dimethyldioxirane.



This reaction needs acetone by heating. The yield is 57.6 %.

Uses of Acetoxyacetone: it can react with valeric acid phenyl ester to get 2-(2-acetoxy-1-hydroxy-1-methyl-ethyl)-pentanoic acid phenyl ester.



This reaction needs TiCl₄, Et₃N and CH₂Cl₂ at temperature of -78 °C. The yield is 60 %.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(=O)COC(=O)C
(2)InChI: InChI=1S/C5H8O3/c1-4(6)3-8-5(2)7/h3H2,1-2H3
(3)InChIKey: DBERHVIZRVGDFO-UHFFFAOYSA-N