ISOPROPYL ACETOACETATE, CAS No. 542-08-5

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542-08-5

Catalog No. EBD3058845

CAS 542-08-5

Name ISOPROPYL ACETOACETATE

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Basic Information

Synonyms: ISOPROPYLACETOACETATE(IPAA) Butanoicacid,3-oxo-,1-methylethylester ACIP IPAA ISOPROPYLACETOACETAT ISOPROPYLACETOACETA ISOPROPYLACETOACETATE ISOPROPYL3-OXOBUTYRATE ISOPROPYLACETOACTETATE ISOPROPYL3-OXOBUTANOATE ISOPROPYLACETOACETATE,98%

Molecular Formula: C7H12O3

Molecular Weight: 144.17

Categories: Functional Chemicals > Consumer & Industrial Chemicals > Fragrances and Flavors Synthetic Chemistry > Organic Building Blocks > Carboxylic Acids and Esters

Product Description:

Isopropyl acetoacetate is an organic compound with the molecular formula C7H12O3. It is a clear, colorless to pale yellow liquid with a characteristic fruity, ethereal odor. Structurally, it is the isopropyl ester of acetoacetic acid, featuring both a ketone and an ester functional group, which makes it a versatile β-ketoester. Its primary and most significant industrial application is as a flavor and fragrance ingredient. It imparts fruity, apple-like, and rum-like notes and is widely used in the formulation of food flavorings, beverages, and perfumes. Additionally, it serves as a key intermediate in organic synthesis, particularly in the acetoacetic ester synthesis for preparing various heterocyclic compounds, pharmaceuticals, and agrochemicals. Its reactivity stems from the active methylene group between the carbonyls. The compound is also utilized as a solvent for cellulose derivatives and in some specialty coatings. It is generally considered to have low acute toxicity but requires standard handling precautions for flammable organic liquids, including storage in a cool, well-ventilated area away from ignition sources.

Physical Properties

Melting Point: -27°C

Boiling Point: 95 °C/52 hPa(lit.)

Flash Point: 71 °C

Density: 0.989 g/mL at 20 °C(lit.)

Refractivity: n20/D 1.418

Analytical Data

Appearance: Colourless liquid