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CS-W001157 4
Total: USD 88.00

4-Oxo-2-propylpentanoic acid

  • CAS No. 688-04-0

  • Cat. No. CS-0313443
  • Purity95+%
  • MDL No.None

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

4-Oxo-2-propylpentanoic acid|CS-0313443

Structure of 688-04-0

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General Information

  • CAS No. 688-04-0
  • Cat. No. CS-0313443
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₃
  • Molecular Weight 158.19
  • Synonym(s) 4-oxo-2-propyl-valeric acid
  • SMILES CCCC(CC(=O)C)C(=O)O

Synthesis

  • Route1
    • Diethyl 2-propylmalonate Sodium Valproate  Impurity|CS-0228866
      2163-48-6
    • ~%
    • 4-Oxo-2-propylpentanoic acid|CS-0313443
      688-04-0

    References

    • Elmazar; Hauck; Nau Journal of pharmaceutical sciences, 1993 , vol. 82, # 12 p. 1255 - 1258
  • Route2
    • null|null
      151-50-8
    • ~%
    • 4-Oxo-2-propylpentanoic acid|CS-0313443
      688-04-0

    References

    • Huan Bulletin de la Societe Chimique de France, 1938 , vol. <5> 5, p. 1341,1343
  • Route3
    • null|null
      714-76-1
    • ~%
    • 4-Oxo-2-propylpentanoic acid|CS-0313443
      688-04-0

    References

    • Thoai,N. Bulletin de la Societe Chimique de France, 1964 , p. 225 - 233

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.4664
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   5

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