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CS-W001157 4
Total: USD 88.00

5-Methylhex-1-en-3-one

  • CAS No. 2177-32-4

  • Cat. No. CS-0449789
  • Molecule weight112.17
  • Purity≥98%
  • MDL No.None

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

5-Methylhex-1-en-3-one|CS-0449789

Structure of 2177-32-4

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General Information

  • CAS No. 2177-32-4
  • Cat. No. CS-0449789
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O
  • Molecular Weight 112.17
  • Synonym(s) 5-Methyl-1-hexen-3-one
  • SMILES C=CC(=O)CC(C)C

Synthesis

  • Route1
    • 5-Methylhex-1-en-3-ol|CS-0468944
      4798-46-3
    • ~96%
    • 5-Methylhex-1-en-3-one|CS-0449789
      2177-32-4

    References

    • Hammen; Braisted; Northrup Synthetic Communications, 1991 , vol. 21, # 21 p. 2157 - 2163
  • Route2

    References

    • Wouters, Felipe C.; Rocha, Daniele F. O.; Goncalves, Caroline C. S.; MacHado, Glauco; Marsaioli, Anita J. Journal of Natural Products, 2013 , vol. 76, # 9 p. 1559 - 1564
  • Route3

    References

    • Zhao, Zhong; Araldi, Gian Luca; Xiao, Yufang; Reddy, Adulla P.; Liao, Yihua; Karra, Srinivasa; Brugger, Nadia; Fischer, David; Palmer, Elizabeth Bioorganic and Medicinal Chemistry Letters, 2007 , vol. 17, # 23 p. 6572 - 6575

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06,GHS08
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331-H341
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   1.7876
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   3

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