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CS-W001157 4
Total: USD 88.00

3,5,5-Trimethylcyclohexane-1,2-dione

  • CAS No. 57696-89-6

  • Cat. No. CS-W016270
  • Molecule weight154.21
  • Purity≥98%
  • MDL No.MFCD02684972

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

3,5,5-Trimethylcyclohexane-1,2-dione|CS-W016270

Structure of 57696-89-6

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General Information

  • CAS No. 57696-89-6
  • Cat. No. CS-W016270
  • Purity ≥98%
  • MDL No. MFCD02684972
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₂
  • Molecular Weight 154.21
  • Synonym(s) Tobacco Ketone
  • SMILES CC1CC(C)(C)CC(=O)C1=O

Synthesis

  • Route1
    • In-stock
      Isophorone oxide|CS-0204566
      10276-21-8
    • ~%
    • In-stock
      3,5,5-Trimethylcyclohexane-1,2-dione|CS-W016270
      57696-89-6
    • null|null
      10275-88-4

    References

    • Journal of Molecular Catalysis A: Chemical, , vol. 318, # 1-2 p. 68 - 74
  • Route2

    References

    • European Journal of Organic Chemistry, , # 10 p. 1905 - 1911
  • Route3
    • null|null
      100533-42-4
    • ~%
    • In-stock
      3,5,5-Trimethylcyclohexane-1,2-dione|CS-W016270
      57696-89-6

    References

    • Australian Journal of Chemistry, , vol. 15, p. 764 - 770

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.5807
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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