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CS-W001157 4
Total: USD 88.00

2-(2-Oxocyclohexyl)acetic acid

  • CAS No. 1438-96-6

  • Cat. No. CS-0446477
  • Molecule weight156.18
  • Purity≥98%
  • MDL No.None

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

2-(2-Oxocyclohexyl)acetic acid|CS-0446477

Structure of 1438-96-6

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General Information

  • CAS No. 1438-96-6
  • Cat. No. CS-0446477
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₃
  • Molecular Weight 156.18
  • Synonym(s) Cyclohexaneacetic acid,2-oxo
  • SMILES C1CCC(=O)C(C1)CC(=O)O

Synthesis

  • Route1

    References

    • Allin, Steven M.; James, Stella L.; Elsegood, Mark R. J.; Martin, William P. Journal of Organic Chemistry, 2002 , vol. 67, # 26 p. 9464 - 9467
  • Route2
    • null|null
      94-66-6
    • ~76%
    • 2-(2-Oxocyclohexyl)acetic acid|CS-0446477
      1438-96-6

    References

    • Juma, Benard; Adeel, Muhammad; Villinger, Alexander; Reinke, Helmut; Spannenberg, Anke; Fischer, Christine; Langer, Peter Advanced Synthesis and Catalysis, 2009 , vol. 351, # 7-8 p. 1073 - 1079
  • Route3
    • null|null
      79646-62-1
    • ~75%
    • 2-(2-Oxocyclohexyl)acetic acid|CS-0446477
      1438-96-6

    References

    • Kunkel, Elisabeth; Reichelt, Ingrid; Reissig, Hans-Ulrich Liebigs Annalen der Chemie, 1984 , # 4 p. 802 - 819

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   1.2204
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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