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CAS 85153-63-5

:

methyl 2,2-diethylacetoacetate

Description:
Methyl 2,2-diethylacetoacetate, with the CAS number 85153-63-5, is an organic compound characterized by its ester functional group. It features a methyl ester derived from acetoacetic acid, with two ethyl groups attached to the carbon adjacent to the carbonyl. This structure imparts unique properties, including moderate polarity and solubility in organic solvents, while being less soluble in water due to its hydrophobic ethyl groups. The compound typically exhibits a pleasant, fruity odor, making it of interest in flavor and fragrance applications. It is also used as an intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Methyl 2,2-diethylacetoacetate can undergo various chemical reactions, including esterification, hydrolysis, and condensation, which are common for esters. Safety data should be consulted for handling, as with many organic compounds, it may pose health risks if ingested or inhaled. Overall, its versatile chemical properties make it a valuable compound in both industrial and research settings.
Formula:C9H16O3
InChI:InChI=1/C9H16O3/c1-5-9(6-2,7(3)10)8(11)12-4/h5-6H2,1-4H3
InChI key:InChIKey=VNGQLWJNJCZRQU-UHFFFAOYSA-N
SMILES:CCC(CC)(C(=O)C)C(=O)OC
Synonyms:
  • 2,2-Diethyl-acetoacetic acid methyl ester
  • Butanoic acid, 2,2-diethyl-3-oxo-, methyl ester
  • Methyl 2,2-Diethyl-3-Oxobutanoate
  • Methyl 2,2-diethylacetoacetate
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