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CS-W001157 4
Total: USD 88.00

Methyl 3-oxooctanoate

  • CAS No. 22348-95-4

  • Cat. No. CS-0450065
  • Purity≥98%
  • MDL No.None

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

Methyl 3-oxooctanoate|CS-0450065

Structure of 22348-95-4

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General Information

  • CAS No. 22348-95-4
  • Cat. No. CS-0450065
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O₃
  • Molecular Weight 172.22
  • Synonym(s) Octanoic acid, 3-oxo-, methyl ester
  • SMILES CCCCCC(=O)CC(=O)OC

Synthesis

  • Route1
    • null|null
      142-61-0
    • ~75%
    • Methyl 3-oxooctanoate|CS-0450065
      22348-95-4

    References

    • Wacker-Chemie GmbH Patent: US5194671 A1, 1993 ;
  • Route2
    • null|null
      67-56-1
    • 3-Oxooctanoic acid|CS-1272411
      13283-91-5
    • ~95%
    • Methyl 3-oxooctanoate|CS-0450065
      22348-95-4

    References

    • Wisconsin Alumni Research Foundation Patent: US2006/178430 A1, 2006 ; Location in patent: Page/Page column 17 ;
  • Route3
    • null|null
      38330-80-2
    • null|null
      142-61-0
    • ~94%
    • Methyl 3-oxooctanoate|CS-0450065
      22348-95-4

    References

    • Blanc, Delphine; Madec, Jonathan; Popowyck, Florence; Ayad, Tahar; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie; Genet, Jean-Pierre Advanced Synthesis and Catalysis, 2007 , vol. 349, # 6 p. 943 - 950

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   43.37
  • LogP   1.6989
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   6

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