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CS-W001157 4
Total: USD 88.00

5-Methyl-4-oxohexanoic acid

  • CAS No. 41654-04-0

  • Cat. No. CS-0367097
  • Molecule weight144.17
  • Purity≥97%
  • MDL No.None

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

5-Methyl-4-oxohexanoic acid|CS-0367097

Structure of 41654-04-0

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General Information

  • CAS No. 41654-04-0
  • Cat. No. CS-0367097
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O₃
  • Molecular Weight 144.17
  • Synonym(s) Hexanoic acid,5-methyl-4-oxo
  • SMILES CC(C)C(=O)CCC(=O)O

Synthesis

  • Route1
    • null|null
      81659-65-6
    • ~69%
    • 5-Methyl-4-oxohexanoic acid|CS-0367097
      41654-04-0

    References

    • Feuer, Henry; Scholl, Philip C. Heterocycles, 1982 , vol. 18, p. 29 - 35
  • Route2

    References

    • Barberis, Mario; Perez-Prieto, Julia Tetrahedron Letters, 2003 , vol. 44, # 35 p. 6683 - 6685
  • Route3
    • 3-Methyl-2-morpholinobutanenitrile|CS-0581260
      409108-65-2
    • null|null
      292638-85-8
    • ~74%
    • 5-Methyl-4-oxohexanoic acid|CS-0367097
      41654-04-0

    References

    • Pawar; Waghmare; Lokhande Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2006 , vol. 45, # 11 p. 2549 - 2551

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.0763
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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