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CS-W001157 4
Total: USD 88.00

3-(Tert-butyl)pentane-2,4-dione

  • CAS No. 13221-94-8

  • Cat. No. CS-0324551
  • Purity≥98%
  • MDL No.None

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

3-(Tert-butyl)pentane-2,4-dione|CS-0324551

Structure of 13221-94-8

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General Information

  • CAS No. 13221-94-8
  • Cat. No. CS-0324551
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₂
  • Molecular Weight 156.22
  • Synonym(s) 3-Tert-butylpentane-2,4-dione
  • SMILES CC(=O)C(C(=O)C)C(C)(C)C

Synthesis

  • Route1
    • null|null
      123-54-6
    • null|null
      75-65-0
    • ~33%
    • 3-(Tert-butyl)pentane-2,4-dione|CS-0324551
      13221-94-8

    References

    • Christoffers, Jens; Kauf, Thomas; Werner, Thomas; Roessle, Michael European Journal of Organic Chemistry, 2006 , # 11 p. 2601 - 2608
  • Route2
    • null|null
      54008-24-1
    • ~%
    • 3-(Tert-butyl)pentane-2,4-dione|CS-0324551
      13221-94-8

    References

    • Tetrahedron, , vol. 35, p. 425 - 435
  • Route3
    • null|null
      123-54-6
    • null|null
      115-11-7
    • ~%
    • 3-(Tert-butyl)pentane-2,4-dione|CS-0324551
      13221-94-8

    References

    • Justus Liebigs Annalen der Chemie, , vol. 718, p. 101 - 114

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   34.14
  • LogP   1.8267
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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