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CS-W001157 4
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Ethyl 2-cyano-3-methylhexanoate

  • CAS No. 19823-28-0

  • Cat. No. CS-0576272
  • Molecule weight183.25
  • Purity≥98%
  • MDL No.None

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

Ethyl 2-cyano-3-methylhexanoate|CS-0576272

Structure of 19823-28-0

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General Information

  • CAS No. 19823-28-0
  • Cat. No. CS-0576272
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₇NO₂
  • Molecular Weight 183.25
  • Synonym(s) Hexanoic acid, 2-cyano-3-methyl-, ethyl ester
  • SMILES CCCC(C)C(C#N)C(OCC)=O

Synthesis

  • Route1
    • Ethyl 2-cyano-3-methylhex-2-enoate|CS-0852914
      759-54-6
    • ~%
    • Ethyl 2-cyano-3-methylhexanoate|CS-0576272
      19823-28-0

    References

    • Cope et al. Journal of the American Chemical Society, 1941 , vol. 63, p. 3455
  • Route2
    • null|null
      107-87-9
    • null|null
      105-56-6
    • ~%
    • Ethyl 2-cyano-3-methylhexanoate|CS-0576272
      19823-28-0

    References

    • Alexander; Cope Journal of the American Chemical Society, 1944 , vol. 66, p. 887
  • Route3
    • null|null
      107-87-9
    • ~%
    • Ethyl 2-cyano-3-methylhexanoate|CS-0576272
      19823-28-0

    References

    • Preuss; Mueller Arzneimittel-Forschung, 1968 , vol. 18, # 5 p. 606 - 610

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-H320
Precautionary Statements : P264-P280-P302+P352-P305+P351+P338-P362

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   2.12548
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   5

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