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CS-W001157 4
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Methyl 2-(2-oxocyclohexyl)acetate

  • CAS No. 13672-64-5

  • Cat. No. CS-0445337
  • Purity≥98%
  • MDL No.None

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

Methyl 2-(2-oxocyclohexyl)acetate|CS-0445337

Structure of 13672-64-5

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General Information

  • CAS No. 13672-64-5
  • Cat. No. CS-0445337
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₃
  • Molecular Weight 170.21
  • Synonym(s) methyl (2-oxocyclohexyl)acetate
  • SMILES COC(=O)CC1CCCCC1=O

Synthesis

  • Route1

    References

    • Noyori, R.; Nishida, I.; Sakata, J. Journal of the American Chemical Society, 1983 , vol. 105, # 6 p. 1598 - 1608
  • Route2
    • null|null
      79646-62-1
    • ~97%
    • Methyl 2-(2-oxocyclohexyl)acetate|CS-0445337
      13672-64-5

    References

    • Kunkel, Elisabeth; Reichelt, Ingrid; Reissig, Hans-Ulrich Liebigs Annalen der Chemie, 1984 , # 4 p. 802 - 819
  • Route3
    • null|null
      17851-97-7
    • null|null
      96-32-2
    • ~90%
    • Methyl 2-(2-oxocyclohexyl)acetate|CS-0445337
      13672-64-5

    References

    • Miura, Katsukiyo; Fujisawa, Naoki; Saito, Hiroshi; Wang, Di; Hosomi, Akira Organic Letters, 2001 , vol. 3, # 16 p. 2591 - 2594

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   1.3088
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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