For professionals in the chemical industry, a deep understanding of the properties of key intermediates is fundamental to successful synthesis and formulation. Isopropyl Acetoacetate (CAS 542-08-5) is a compound that offers a unique set of characteristics making it highly valuable. This article delves into the critical physical and chemical properties of Isopropyl Acetoacetate, highlighting why it is a preferred choice for manufacturers and researchers alike.

Understanding the Basics: Isopropyl Acetoacetate

Isopropyl Acetoacetate, chemically known as Isopropyl 3-oxobutanoate, is an ester of acetoacetic acid. As a beta-keto ester, it possesses a reactive methylene group situated between two carbonyl functionalities, which is key to its synthetic versatility. When seeking to purchase this compound, understanding its inherent properties ensures you can effectively integrate it into your processes.

Key Physical Properties

  • Appearance: Typically, Isopropyl Acetoacetate is observed as a colorless to light yellow liquid. This clear liquid form facilitates easy handling and accurate dispensing in various laboratory and industrial settings.
  • Boiling Point: With a boiling point around 95 °C at 52 hPa (lit.), it indicates a relatively moderate volatility. This property is crucial for distillation and purification processes, allowing manufacturers to achieve high purity levels.
  • Density: The density of Isopropyl Acetoacetate is approximately 0.989 g/mL at 20 °C (lit.). This value is important for mass-to-volume calculations, essential for precise stoichiometry in chemical reactions.
  • Refractive Index: Its refractive index, n20/D 1.418, serves as another quick identifier for quality control and purity verification by suppliers.
  • Flash Point: A flash point of 73°C (lit.) signifies that it is a combustible liquid, requiring appropriate handling and storage precautions in industrial environments.
  • Solubility: Isopropyl Acetoacetate is described as slightly miscible with water. This characteristic is important when considering reaction conditions and work-up procedures, as it can influence extraction and separation techniques.

Chemical Reactivity and Synthetic Utility

The true value of Isopropyl Acetoacetate lies in its chemical reactivity, primarily due to the acidic alpha-hydrogens and the presence of two carbonyl groups. This allows it to participate in a wide array of reactions, including:

  • Alkylation and Acylation: The enolate formed from Isopropyl Acetoacetate can readily undergo alkylation and acylation reactions, forming new carbon-carbon bonds.
  • Condensation Reactions: It is a key component in Claisen condensations and Knoevenagel condensations, vital for building complex organic structures.
  • Decarboxylation: Upon hydrolysis and heating, the acetoacetate moiety can undergo decarboxylation, leading to the formation of ketones.

Why These Properties Matter to Buyers

For procurement managers and R&D scientists, understanding these properties ensures that Isopropyl Acetoacetate (CAS 542-08-5) is the correct choice for their application. Knowing its boiling point helps in designing distillation processes, while its solubility dictates solvent selection. The chemical reactivity provides a blueprint for its potential applications in synthesis. When you purchase from a reputable manufacturer or supplier, these properties are guaranteed, ensuring consistency and predictability in your chemical operations. For those looking to buy, these details underscore the compound's versatility and indispensability in modern chemistry.

Conclusion

Isopropyl Acetoacetate (CAS 542-08-5) is more than just a chemical compound; it's a workhorse intermediate whose well-defined properties make it a cornerstone in numerous synthetic routes. Manufacturers and formulators who understand and leverage these characteristics can unlock significant innovation and efficiency. As a reliable supplier, we ensure you have access to this high-quality intermediate, backed by its predictable and valuable properties.