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CS-W001157 4
Total: USD 88.00

Octan-4-one

  • CAS No. 589-63-9

  • Cat. No. CS-0297336
  • Molecule weight128.21
  • Purity≥98%
  • MDL No.MFCD00027241

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

Octan-4-one|CS-0297336

Structure of 589-63-9

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General Information

  • CAS No. 589-63-9
  • Cat. No. CS-0297336
  • Purity ≥98%
  • MDL No. MFCD00027241
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₆O
  • Molecular Weight 128.21
  • Synonym(s) Propyl n-butyl ketone
  • SMILES CCCCC(=O)CCC

Synthesis

  • Route1
    • null|null
      1942-45-6
    • ~95%
    • Octan-4-one|CS-0297336
      589-63-9

    References

    • Zhu, Feng-Xia; Wang, Wei; Li, He-Xing Journal of the American Chemical Society, 2011 , vol. 133, # 30 p. 11632 - 11640
  • Route2
    • null|null
      14850-23-8
    • ~88%
    • Octan-4-one|CS-0297336
      589-63-9

    References

    • JX NIPPON OIL and ENERGY CORPORATION Patent: US2011/288340 A1, 2011 ; Location in patent: Page/Page column 5-6 ;
  • Route3

    References

    • Shaabani, Ahmad; Lee, Donald G. Synthetic Communications, 2003 , vol. 33, # 11 p. 1845 - 1854

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Danger
UN#: 1224
Class : 3
Packing Group : Ⅲ
Hazard Statements : H225
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.5458
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   5

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