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3-(1-Methylethyl)-2-cyclohexen-1-one

  • CAS No. 6328-22-9

  • Cat. No. CS-0098537
  • Molecule weight138.21
  • Purity≥98%
  • MDL No.MFCD21129378

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

3-(1-Methylethyl)-2-cyclohexen-1-one|CS-0098537

Structure of 6328-22-9

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General Information

  • CAS No. 6328-22-9
  • Cat. No. CS-0098537
  • Purity ≥98%
  • MDL No. MFCD21129378
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O
  • Molecular Weight 138.21
  • Synonym(s) 3-Propan-2-ylcyclohex-2-en-1-one
  • SMILES O=C1C=C(C(C)C)CCC1

Synthesis

  • Route1

    References

    • Lifchits, Olga; Mahlau, Manuel; Reisinger, Corinna M.; Lee, Anna; Fares, Christophe; Polyak, Iakov; Gopakumar, Gopinadhanpillai; Thiel, Walter; List, Benjamin Journal of the American Chemical Society, 2013 , vol. 135, # 17 p. 6677 - 6693
  • Route2
    • null|null
      126754-21-0
    • ~83%
    • 3-(1-Methylethyl)-2-cyclohexen-1-one|CS-0098537
      6328-22-9

    References

    • Lu, Yingdong; Nguyen, Pierre Long; Levaray, Nicolas; Lebel, Heleine Journal of Organic Chemistry, 2013 , vol. 78, # 2 p. 776 - 779
  • Route3
    • null|null
      56-23-5
    • null|null
      3983-08-2
    • null|null
      64-19-7
    • null|null
      75-65-0
    • ~%
    • 3-(1-Methylethyl)-2-cyclohexen-1-one|CS-0098537
      6328-22-9

    References

    • Rao; Dev Journal of the Indian Chemical Society, 1956 , vol. 33, p. 539,544

Safety Information

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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   1

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