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CAS 16715-59-6

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Butanoic acid, 3-oxo-, ethyl ester, ion(1-), calcium

Description:
Butanoic acid, 3-oxo-, ethyl ester, ion(1-), calcium, commonly referred to as calcium ethyl 3-oxobutanoate, is a calcium salt of an ester derived from butanoic acid. This compound features a butanoic acid backbone with a keto group at the third carbon and an ethyl ester functional group. It is typically characterized by its white to off-white crystalline appearance and is soluble in polar solvents. The presence of the calcium ion contributes to its stability and potential applications in various fields, including food, pharmaceuticals, and agriculture. As a calcium salt, it may play a role in calcium supplementation and can be involved in biochemical pathways as a source of butanoate, which is important in metabolism. Its properties, such as melting point, solubility, and reactivity, can vary based on environmental conditions and the presence of other substances. Overall, this compound is of interest for its potential applications and its role in organic synthesis and metabolic processes.
Formula:C6H9O3Ca
InChI:InChI=1S/C6H9O3.Ca/c1-3-9-6(8)4-5(2)7;/h4H,3H2,1-2H3;/q-1;+2
InChI key:InChIKey=HKXGCGVWZKIXTO-UHFFFAOYSA-N
SMILES:[CH-](C(OCC)=O)C(C)=O.[Ca+2]
Synonyms:
  • Calcium ethyl acetylacetonate
  • Butanoic acid, 3-oxo-, ethyl ester, ion(1-), calcium
  • Calcium ethyl acetoacetate
  • Ethyl calcioacetoacetate
  • Calcium, bis(hydrogen acetoacetato)-, diethyl ester
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