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CS-W001157 4
Total: USD 88.00

4-Methyl-5-oxohexanoic acid

  • CAS No. 6818-07-1

  • Cat. No. CS-0253545
  • Molecule weight144.17
  • Purity≥98%
  • MDL No.None

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

4-Methyl-5-oxohexanoic acid|CS-0253545

Structure of 6818-07-1

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General Information

  • CAS No. 6818-07-1
  • Cat. No. CS-0253545
  • 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) Hexanoic acid,4-methyl-5-oxo
  • SMILES CC(C(C)CCC(O)=O)=O

Synthesis

  • Route1

    References

    • Symrise AG; Kindel, Günter; Wiedwald, Bernd; Schöning, Axel; Wöhrle, Ingo; Loges, Hubert; Lages, Rita Patent: US8574554 B2, 2013 ; Location in patent: Page/Page column 25; 26 ;
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    • 4-Methyl-5-oxohexanoic acid|CS-0253545
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    References

    • Lions Journal and Proceedings of the Royal Society of New South Wales, 1938 , vol. 71, p. 193,198 Chem. Zentralbl., 1938 , vol. 109, # II p. 1958 Full Text Show Details Chiurdoglu Bulletin des Societes Chimiques Belges, 1938 , vol. 47, p. 363,377 Bulletin des Societes Chimiques Belges, 1944 , vol. 53, p. 45,47
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    • 4-Methyl-5-oxohexanoic acid|CS-0253545
      6818-07-1

    References

    • Holloway, Chloe A.; Muratore, Michael E.; Storer, R. Lan; Dixon, Darren J. Organic Letters, 2010 , vol. 12, # 21 p. 4720 - 4723

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-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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