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Methyl 2-acetyl-3-oxobutanoate

  • CAS No. 4619-66-3

  • Cat. No. CS-0308675
  • Molecule weight158.15
  • Purity95+%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

Methyl 2-acetyl-3-oxobutanoate|CS-0308675

Structure of 4619-66-3

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General Information

  • CAS No. 4619-66-3
  • Cat. No. CS-0308675
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₀O₄
  • Molecular Weight 158.15
  • Synonym(s) Methyl 2-acetylacetoacetate
  • SMILES CC(=O)C(C(=O)C)C(=O)OC

Synthesis

  • Route1
    • null|null
      124-38-9
    • null|null
      123-54-6
    • null|null
      74-88-4
    • ~10%
    • Methyl 2-acetyl-3-oxobutanoate|CS-0308675
      4619-66-3

    References

    • Beckman, Eric J.; Munshi, Pradip Green Chemistry, 2011 , vol. 13, # 2 p. 376 - 383
  • Route2

    References

    • Bingham; Tyman Organic Preparations and Procedures International, 2001 , vol. 33, # 4 p. 357 - 361
  • Route3

    References

    • Carbide and Carbon Chem. Corp. Patent: US2432499 , 1943 ; Full Text Show Details Chem.Abstr., 1948 , p. 2615

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   60.44
  • LogP   -0.0464
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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