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CS-W001157 4
Total: USD 88.00

Diethyl 2-(pentan-2-yl)malonate

  • CAS No. 117-47-5

  • Cat. No. CS-0535637
  • Purity≥98%
  • MDL No.None

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

Diethyl 2-(pentan-2-yl)malonate|CS-0535637

Structure of 117-47-5

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General Information

  • CAS No. 117-47-5
  • Cat. No. CS-0535637
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₂O₄
  • Molecular Weight 230.30
  • Synonym(s) Diethyl (1-methylbutyl)malonate
  • SMILES CCCC(C)C(C(=O)OCC)C(=O)OCC

Synthesis

  • Route1
    • null|null
      107-81-3
    • null|null
      105-53-3
    • ~%
    • Diethyl 2-(pentan-2-yl)malonate|CS-0535637
      117-47-5

    References

    • Agricultural and Biological Chemistry, , vol. 46, # 2 p. 411 - 418
  • Route2
    • null|null
      6032-29-7
    • ~%
    • Diethyl 2-(pentan-2-yl)malonate|CS-0535637
      117-47-5

    References

    • Journal of the American Chemical Society, , vol. 52, p. 2443
  • Route3
    • null|null
      109-68-2
    • ~%
    • Diethyl 2-(pentan-2-yl)malonate|CS-0535637
      117-47-5

    References

    • Journal of the American Chemical Society, , vol. 52, p. 2443

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   2.165
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   7

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