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CS-W001157 4
Total: USD 88.00

4-Methylpent-3-enoic acid

  • CAS No. 504-85-8

  • Cat. No. CS-0453086
  • Purity≥98%
  • MDL No.None

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

4-Methylpent-3-enoic acid|CS-0453086

Structure of 504-85-8

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General Information

  • CAS No. 504-85-8
  • Cat. No. CS-0453086
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀O₂
  • Molecular Weight 114.14
  • Synonym(s) 4-Methyl-3-pentenoic acid
  • SMILES CC(=CCC(=O)O)C

Synthesis

  • Route1
    • 4-Methylpent-3-enenitrile|CS-0665898
      4786-23-6
    • ~87%
    • 4-Methylpent-3-enoic acid|CS-0453086
      504-85-8

    References

    • Couladouros, Elias A.; Strongilos, Alexandros T.; Papageorgiou, Vassilios P.; Plyta, Zoi F. Chemistry - A European Journal, 2002 , vol. 8, # 8 p. 1795 - 1803
  • Route2
    • null|null
      201230-82-2
    • null|null
      78-79-5
    • ~58%
    • 4-Methylpent-3-enoic acid|CS-0453086
      504-85-8

    References

    • Vasapollo, Giuseppe; Somasunderam, Anoma; Ali, Bassam El; Alper, Howard Tetrahedron Letters, 1994 , vol. 35, # 34 p. 6203 - 6206
  • Route3
    • null|null
      72800-48-7
    • ~92%
    • 4-Methylpent-3-enoic acid|CS-0453086
      504-85-8

    References

    • Gupta, Manoj K.; Li, Zhexi; Snowden, Timothy S. Journal of Organic Chemistry, 2012 , vol. 77, # 10 p. 4854 - 4860

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   37.3
  • LogP   1.4273
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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