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CS-W001157 4
Total: USD 88.00

6-Methyl-5-oxoheptanoic acid

  • CAS No. 40564-61-2

  • Cat. No. CS-0581269
  • Molecule weight158.19
  • Purity≥98%
  • MDL No.None

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

6-Methyl-5-oxoheptanoic acid|CS-0581269

Structure of 40564-61-2

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General Information

  • CAS No. 40564-61-2
  • Cat. No. CS-0581269
  • Purity ≥98%
  • 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) None
  • SMILES CC(C)C(=O)CCCC(=O)O

Synthesis

  • Route1
    • null|null
      73267-98-8
    • ~12%
    • 6-Methyl-5-oxoheptanoic acid|CS-0581269
      40564-61-2
    • null|null
      73258-11-4
    • null|null
      73258-09-0

    References

    • Miura,M.; Nojima,M. Journal of the American Chemical Society, 1980 , vol. 102, p. 288
  • Route2
    • null|null
      2758-17-0
    • ~28%
    • 6-Methyl-5-oxoheptanoic acid|CS-0581269
      40564-61-2

    References

    • Berthelot; Vaccher; Devergnies; Flourquet; Debaert Journal of Heterocyclic Chemistry, 1988 , vol. 25, # 5 p. 1525 - 1529
  • Route3
    • null|null
      108-55-4
    • null|null
      920-39-8
    • ~54%
    • 6-Methyl-5-oxoheptanoic acid|CS-0581269
      40564-61-2

    References

    • Zhang, Chengwei; Li, Zhaodong; Zhu, Lin; Yu, Limei; Wang, Zhentao; Li, Chaozhong Journal of the American Chemical Society, 2013 , vol. 135, # 38 p. 14082 - 14085

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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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