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CS-W001157 4
Total: USD 88.00

2,4,4-Trimethylcyclohex-2-en-1-one

  • CAS No. 13395-71-6

  • Cat. No. CS-0132034
  • Purity≥95%
  • MDL No.None

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

2,4,4-Trimethylcyclohex-2-en-1-one|CS-0132034

Structure of 13395-71-6

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General Information

  • CAS No. 13395-71-6
  • Cat. No. CS-0132034
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O
  • Molecular Weight 138.21
  • Synonym(s) 2,4,4-TRIMETHYLCYCLOHEX-2-ENONE
  • SMILES O=C1C(C)=CC(C)(C)CC1

Synthesis

  • Route1
    • 2,4,4-Trimethylcyclohex-2-en-1-ol|CS-1269668
      134736-78-0
    • ~%
    • 2,4,4-Trimethylcyclohex-2-en-1-one|CS-0132034
      13395-71-6

    References

    • Bougault Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1910 , vol. 150, p. 397
  • Route2
    • null|null
      1629-58-9
    • null|null
      78-84-2
    • ~62%
    • 2,4,4-Trimethylcyclohex-2-en-1-one|CS-0132034
      13395-71-6

    References

    • Paquette, Leo A.; Oplinger, Jeffrey A. Tetrahedron, 1989 , vol. 45, # 1 p. 107 - 124
  • Route3

    References

    • Alkonyi,I. Chemische Berichte, 1961 , vol. 94, p. 2486 - 2489

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.3218
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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