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CS-W001157 4
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5-Methyloctan-2-one

  • CAS No. 58654-67-4

  • Cat. No. CS-0296966
  • Molecule weight142.24
  • Purity≥98%
  • MDL No.None

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

5-Methyloctan-2-one|CS-0296966

Structure of 58654-67-4

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General Information

  • CAS No. 58654-67-4
  • Cat. No. CS-0296966
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₈O
  • Molecular Weight 142.24
  • Synonym(s) Methyl 3-Methylhexyl Ketone
  • SMILES CCCC(C)CCC(=O)C

Synthesis

  • Route1
    • null|null
      107-81-3
    • null|null
      78-94-4
    • ~16%
    • 5-Methyloctan-2-one|CS-0296966
      58654-67-4

    References

    • Lebedev, S. A.; Lopatina, V. S.; Petrov, E. S. Russian Journal of General Chemistry, 1995 , vol. 65, # 3.2 p. 444 - 446 Zhurnal Obshchei Khimii, 1995 , vol. 65, # 3 p. 501 - 503
  • Route2

    References

    • Journal of the American Chemical Society, , vol. 63, p. 2376,2378
  • Route3
    • null|null
      187737-37-7
    • null|null
      67-64-1
    • ~%
    • 5-Methyloctan-2-one|CS-0296966
      58654-67-4

    References

    • Zhurnal Organicheskoi Khimii, , vol. 15, # 11 p. 2241 - 2245,2030 - 2034

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1224
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.7918
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   5

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