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CS-W001157 4
Total: USD 88.00

Ethyl 4-oxohexanoate

  • CAS No. 3249-33-0

  • Cat. No. CS-0230245
  • Purity≥98%
  • MDL No.None

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

Ethyl 4-oxohexanoate|CS-0230245

Structure of 3249-33-0

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General Information

  • CAS No. 3249-33-0
  • Cat. No. CS-0230245
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₃
  • Molecular Weight 158.19
  • Synonym(s) Hexanoic acid, 4-oxo-, ethyl ester
  • SMILES CCC(=O)CCC(=O)OCC

Synthesis

  • Route1
    • Diethyl 2-propionylsuccinate|CS-0875255
      41117-76-4
    • ~96%
    • Ethyl 4-oxohexanoate|CS-0230245
      3249-33-0

    References

    • Buttery, Cheryl D.; Cameron, Andrew G.; Dell, Colin P.; Knight, David W. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1990 , # 6 p. 1601 - 1610
  • Route2
    • null|null
      67-56-1
    • 4-Oxohexanoic acid|CS-0207493
      1117-74-4
    • ~%
    • Ethyl 4-oxohexanoate|CS-0230245
      3249-33-0

    References

    • EP1748048 A1, ; Page/Page column 59 ;
  • Route3
    • null|null
      10467-10-4
    • null|null
      331991-58-3
    • ~63%
    • Ethyl 4-oxohexanoate|CS-0230245
      3249-33-0

    References

    • Kashima, Choji; Shirahata, Yoshie; Tsukamoto, Yoshihiro Heterocycles, 2001 , vol. 54, # 1 p. 309 - 317

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.3088
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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