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Ethyl 2-acetyl-3-methylbutanoate

  • CAS No. 1522-46-9

  • Cat. No. CS-0216962
  • Purity≥95%
  • MDL No.MFCD00042884

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

Ethyl 2-acetyl-3-methylbutanoate|CS-0216962

Structure of 1522-46-9

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General Information

  • CAS No. 1522-46-9
  • Cat. No. CS-0216962
  • Purity ≥95%
  • MDL No. MFCD00042884
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₃
  • Molecular Weight 172.22
  • Synonym(s) Ethyl alpha-isopropylacetoacetate
  • SMILES CCOC(=O)C(C(C)C)C(=O)C

Synthesis

  • Route1
    • In-stock
      Ethyl acetoacetate|CS-0016216
      141-97-9
    • null|null
      75-26-3
    • ~51%
    • In-stock
      Ethyl 2-acetyl-3-methylbutanoate|CS-0216962
      1522-46-9

    References

    • Nambu, Mitch; White, James D. Chemical Communications, 1996 , # 14 p. 1619 - 1620
  • Route2
    • null|null
      75-30-9
    • In-stock
      Ethyl acetoacetate|CS-0016216
      141-97-9
    • ~63%
    • In-stock
      Ethyl 2-acetyl-3-methylbutanoate|CS-0216962
      1522-46-9

    References

    • Beddow, James E.; Davies, Stephen G.; Ling, Kenneth B.; Roberts, Paul M.; Russell, Angela J.; Smith, Andrew D.; Thomson, James E. Organic and Biomolecular Chemistry, 2007 , vol. 5, # 17 p. 2812 - 2825
  • Route3

    References

    • Journal of the American Chemical Society, , vol. 62, p. 2392 Journal of the American Chemical Society, , vol. 65, p. 552 Organic Syntheses, , vol. Coll. Vol. III, p. 405,407

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

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.4107
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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