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CS-W001157 4
Total: USD 88.00

5-Oxoheptanoic acid

  • CAS No. 3637-13-6

  • Cat. No. CS-0451680
  • Molecule weight144.17
  • Purity≥98%
  • MDL No.None

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

5-Oxoheptanoic acid|CS-0451680

Structure of 3637-13-6

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General Information

  • CAS No. 3637-13-6
  • Cat. No. CS-0451680
  • Purity ≥98%
  • 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) 5-Oxo-heptanoic acid
  • SMILES CCC(=O)CCCC(=O)O

Synthesis

  • Route1
    • Methyl 5-oxoheptanoate|CS-1027125
      17745-32-3
    • ~94%
    • 5-Oxoheptanoic acid|CS-0451680
      3637-13-6

    References

    • Schwarz, Jacob B.; Meyers Journal of Organic Chemistry, 1998 , vol. 63, # 5 p. 1732 - 1735
  • Route2
    • null|null
      41577-83-7
    • ~52%
    • 5-Oxoheptanoic acid|CS-0451680
      3637-13-6

    References

    • Matsuura, Yoshitomo; Chai, Wen; Endoh, Etsuko; Suhara, Jyumpei; Hamada, Hiroki; Horiuchi, C. Akira Phytochemistry, 2002 , vol. 61, # 6 p. 669 - 673
  • Route3
    • null|null
      60386-56-3
    • ~38%
    • 5-Oxoheptanoic acid|CS-0451680
      3637-13-6

    References

    • Chai, Wen; Sakamaki, Hiroshi; Kitanaka, Susumu; Horiuchi, C. Akira Bulletin of the Chemical Society of Japan, 2003 , vol. 76, # 1 p. 177 - 182

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   1.2204
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   5

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