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CAS 84508-55-4

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ethyl acetoacetate-1,2,3,4-13C4

Description:
Ethyl acetoacetate-1,2,3,4-^13C4 is a labeled isotopomer of ethyl acetoacetate, a versatile compound widely used in organic synthesis and as a building block in the production of various chemicals. This specific compound features four carbon atoms that are isotopically labeled with carbon-13 (^13C), which is a stable isotope of carbon. The presence of ^13C allows for enhanced tracking and analysis in metabolic studies and NMR spectroscopy. Ethyl acetoacetate itself is characterized by its fruity odor and is a colorless liquid at room temperature. It has a keto and an ester functional group, making it reactive in various chemical reactions, including Claisen condensation and Michael addition. The compound is soluble in organic solvents and has applications in pharmaceuticals, agrochemicals, and as a precursor for the synthesis of other compounds. Safety data indicates that it should be handled with care, as it may cause irritation upon contact with skin or eyes.
Formula:C6H10O3
InChI:InChI=1S/C6H10O3/c1-3-9-6(8)4-5(2)7/h3-4H2,1-2H3/i2+1,4+1,5+1,6+1
InChI key:XYIBRDXRRQCHLP-XMUWKQMQSA-N
SMILES:CCO[13C](=O)[13CH2][13C](=O)[13CH3]
Synonyms:
  • ETHYL ACETOACETATE (1,2,3,4-13C4)
  • Ethyl Acetoacetate-13C4
  • ETHYL ACETOACETATE-1,2,3,4-13C4, 99 ATOM % 13C
  • [13C4]-Ethyl Acetoacetate
  • ETHYL 3-OXOBUTANATE(1,2,3,4-13C4)
Found 4 products.