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

  • CAS No. 3213-49-8

  • Cat. No. CS-0036056
  • Purity≥96%
  • MDL No.MFCD02258612

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

Ethyl 2-cyano-3-methylbutanoate|CS-0036056

Structure of 3213-49-8

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General Information

  • CAS No. 3213-49-8
  • Cat. No. CS-0036056
  • Purity ≥96%
  • MDL No. MFCD02258612
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₃NO₂
  • Molecular Weight 155.19
  • Synonym(s) ethyl 2-cyano-3-methyl-butanoate
  • SMILES CCOC(=O)C(C#N)C(C)C

Synthesis

  • Route1
    • null|null
      75-30-9
    • null|null
      105-56-6
    • ~94%
    • In-stock
      Ethyl 2-cyano-3-methylbutanoate|CS-0036056
      3213-49-8

    References

    • Cytovia, Inc. Patent: EP1076563 B1, 2005 ; Location in patent: Page/Page column 14 ;
  • Route2
    • null|null
      105-56-6
    • null|null
      67-64-1
    • ~94%
    • In-stock
      Ethyl 2-cyano-3-methylbutanoate|CS-0036056
      3213-49-8

    References

    • Ramachary, Dhevalapally B.; Kishor; Reddy, G. Babul Organic and Biomolecular Chemistry, 2006 , vol. 4, # 9 p. 1641 - 1646
  • Route3

    References

    • Vogel Journal of the Chemical Society, 1928 , p. 2025

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3276
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H312-H315-H319-H332-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   1.34528
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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