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CS-W001157 4
Total: USD 88.00

6-Methylheptane-2,5-dione

  • CAS No. 13901-85-4

  • Cat. No. CS-0262045
  • Purity≥95%
  • MDL No.None

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

6-Methylheptane-2,5-dione|CS-0262045

Structure of 13901-85-4

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General Information

  • CAS No. 13901-85-4
  • Cat. No. CS-0262045
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₂
  • Molecular Weight 142.20
  • Synonym(s) 6-methyl-heptane-2,5-dione
  • SMILES CC(CCC(C(C)C)=O)=O

Synthesis

  • Route1
    • null|null
      26144-88-7
    • ~48%
    • 6-Methylheptane-2,5-dione|CS-0262045
      13901-85-4

    References

    • Molander, Gary A.; Camera, Kimberly O. Journal of the American Chemical Society, 1993 , vol. 115, # 3 p. 830 - 846
  • Route2
    • null|null
      78-94-4
    • null|null
      78-84-2
    • ~80%
    • 6-Methylheptane-2,5-dione|CS-0262045
      13901-85-4

    References

    • Galopin, Christophe C. Tetrahedron Letters, 2001 , vol. 42, # 33 p. 5589 - 5591
  • Route3
    • null|null
      28236-87-5
    • ~%
    • 6-Methylheptane-2,5-dione|CS-0262045
      13901-85-4

    References

    • Molander, Gary A.; Camera, Kimberly O. Journal of the American Chemical Society, 1993 , vol. 115, # 3 p. 830 - 846

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

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.5807
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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