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CS-W001157 4
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7-Methyloctan-3-one

  • CAS No. 5408-57-1

  • Cat. No. CS-0238563
  • Molecule weight142.24
  • Purity≥95%
  • MDL No.None

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

7-Methyloctan-3-one|CS-0238563

Structure of 5408-57-1

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General Information

  • CAS No. 5408-57-1
  • Cat. No. CS-0238563
  • Purity ≥95%
  • 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) Aethyl-isohexyl-keton
  • SMILES CCC(CCCC(C)C)=O

Synthesis

  • Route1

    References

    • Ponzio; de Gaspari Gazzetta Chimica Italiana, 1898 , vol. 28 II, p. 277
  • Route2
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      691-37-2
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      123-38-6
    • ~%
    • 7-Methyloctan-3-one|CS-0238563
      5408-57-1

    References

    • Rabilloud,G. Bulletin de la Societe Chimique de France, 1966 , p. 634 - 639
  • Route3
    • null|null
      5699-78-5
    • null|null
      592-02-9
    • ~%
    • 7-Methyloctan-3-one|CS-0238563
      5408-57-1

    References

    • Kletzke,P.G. Journal of Organic Chemistry, 1964 , vol. 29, p. 1363 - 1366

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1224
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H315-H319-H335
Precautionary Statements : P210-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P362-P370+P378-P403+P233-P403+P235-P405-P501

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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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