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CS-W001157 4
Total: USD 88.00

trans-Glutaconic acid

  • CAS No. 628-48-8

  • Cat. No. CS-0106651
  • Purity≥98%
  • MDL No.MFCD00002784

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

trans-Glutaconic acid|CS-0106651

Structure of 628-48-8

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General Information

  • CAS No. 628-48-8
  • Cat. No. CS-0106651
  • Purity ≥98%
  • MDL No. MFCD00002784
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₆O₄
  • Molecular Weight 130.10
  • Synonym(s) trans-2-Pentenedioic acid
  • SMILES O=C(O)/C=C/CC(O)=O

Synthesis

  • Route1
    • Dimethyl (E)-pent-2-enedioate|CS-0145911
      41527-39-3
    • ~87%
    • trans-Glutaconic acid|CS-0106651
      628-48-8

    References

    • Wang, Wentian; Simovic, Dragan D.; Di, Mingping; Fieber, Lynne; Rein, Kathleen S. Bioorganic and Medicinal Chemistry Letters, 2013 , vol. 23, # 7 p. 1949 - 1952
  • Route2
    • null|null
      857792-97-3
    • ~%
    • trans-Glutaconic acid|CS-0106651
      628-48-8

    References

    • Conrad; Guthzeit Justus Liebigs Annalen der Chemie, 1884 , vol. 222, p. 253 Full Text Show Details Kohler,Reid Journal of the American Chemical Society, 1925 , vol. 47, p. 2809 Full Text Show Details Farmer; Ingold Journal of the Chemical Society, 1921 , vol. 119, p. 2008,2020
  • Route3
    • null|null
      471-25-0
    • ~%
    • trans-Glutaconic acid|CS-0106651
      628-48-8

    References

    • du Pont de Nemours and Co. Patent: US2218032 , 1939 ;

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P332+P317-P305+P351+P338-P337+P317-P362+P364-P304+P340-P319-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   74.6
  • LogP   0.738
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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