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CS-W001157 4
Total: USD 88.00

Methyl 4-oxohexanoate

  • CAS No. 2955-62-6

  • Cat. No. CS-0504000
  • Purity≥95%
  • MDL No.None

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

Methyl 4-oxohexanoate|CS-0504000

Structure of 2955-62-6

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General Information

  • CAS No. 2955-62-6
  • Cat. No. CS-0504000
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O₃
  • Molecular Weight 144.17
  • Synonym(s) Hexanoic acid, 4-oxo-, methyl ester
  • SMILES CCC(CCC(OC)=O)=O

Synthesis

  • Route1
    • null|null
      13064-28-3
    • ~96%
    • In-stock
      Methyl 4-oxohexanoate|CS-0504000
      2955-62-6

    References

    • Banwell, Martin G.; Edwards, Alison J.; Jolliffe, Katrina A.; Smith, Jason A.; Hamel, Ernest; Verdier-Pinard, Pascal Organic and Biomolecular Chemistry, 2003 , vol. 1, # 2 p. 296 - 305
  • Route2
    • null|null
      67-56-1
    • null|null
      563-43-9
    • null|null
      543-20-4
    • ~10%
    • In-stock
      Methyl 4-oxohexanoate|CS-0504000
      2955-62-6

    References

    • Elliott, Gregory I.; Velcicky, Juraj; Ishikawa, Hayato; Li, YongKai; Boger, Dale L. Angewandte Chemie - International Edition, 2006 , vol. 45, # 4 p. 620 - 622 Title/Abstract Full Text View citing articles Show Details Ishikawa, Hayato; Elliott, Gregory I.; Velcicky, Juraj; Choi, Younggi; Boger, Dale L. Journal of the American Chemical Society, 2006 , vol. 128, # 32 p. 10596 - 10612
  • Route3
    • Methyl trans-3-hexenoate|CS-0782066
      13894-61-6
    • ~51%
    • In-stock
      Methyl 4-oxohexanoate|CS-0504000
      2955-62-6

    References

    • Nagashima, Hideo; Sakai, Kiyomi; Tsuji, Jiro Chemistry Letters, 1982 , p. 859 - 860

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   0.9187
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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