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CS-W001157 4
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2-Allyl-2-methylcyclohexane-1,3-dione

  • CAS No. 31929-07-4

  • Cat. No. CS-0492589
  • Purity≥98%
  • MDL No.MFCD21338190

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

2-Allyl-2-methylcyclohexane-1,3-dione|CS-0492589

Structure of 31929-07-4

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General Information

  • CAS No. 31929-07-4
  • Cat. No. CS-0492589
  • Purity ≥98%
  • MDL No. MFCD21338190
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄O₂
  • Molecular Weight 166.22
  • Synonym(s) 2-methyl-2-prop-2-enylcyclohexane-1,3-dione
  • SMILES C=CCC1(C)C(=O)CCCC1=O

Synthesis

  • Route1

    References

    • Gruber, Stefan; Pregosin, Paul S. Advanced Synthesis and Catalysis, 2009 , vol. 351, # 18 p. 3235 - 3242
  • Route2

    References

    • Mitsudome, Takato; Nose, Kenta; Mori, Kohsuke; Mizugaki, Tomoo; Ebitani, Kohki; Jitsukawa, Koichiro; Kaneda, Kiyotomi Angewandte Chemie - International Edition, 2007 , vol. 46, # 18 p. 3288 - 3290
  • Route3

    References

    • Basu, Debjit; Chandrasekharam, Malapaka; Mainkar, Prathama S; Chandrasekhar, Srivari Arkivoc, 2011 , vol. 2011, # 2 p. 355 - 362

Safety Information

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.8909
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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