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CS-W001157 4
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Trimethyl (E)-prop-1-ene-1,2,3-tricarboxylate

  • CAS No. 4271-99-2

  • Cat. No. CS-0452468
  • Purity≥98%
  • MDL No.None

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

Trimethyl (E)-prop-1-ene-1,2,3-tricarboxylate|CS-0452468

Structure of 4271-99-2

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General Information

  • CAS No. 4271-99-2
  • Cat. No. CS-0452468
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂O₆
  • Molecular Weight 216.19
  • Synonym(s) trans-Aconitic Acid Trimethyl Ester
  • SMILES COC(=O)/C=C(\CC(=O)OC)/C(=O)OC

Synthesis

  • Route1

    References

    • Jaoui; Kleindienst; Lewandowski; Edney Analytical Chemistry, 2004 , vol. 76, # 16 p. 4765 - 4778
  • Route2

    References

    • Ballini, Roberto; Bosica, Giovanna; Fiorini, Dennis; Gil, Maria Victoria; Palmieri, Alessandro Synthesis, 2004 , # 4 p. 605 - 609
  • Route3
    • null|null
      6832-16-2
    • ~71%
    • Trimethyl (E)-prop-1-ene-1,2,3-tricarboxylate|CS-0452468
      4271-99-2

    References

    • Dzhemilev, U. M.; Dokichev, V. A.; Safuanova, R. M.; Tolstikov, G. A. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1990 , vol. 39, # 2.2 p. 430 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1990 , # 2 p. 492 - 493

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
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   78.9
  • LogP   -0.1781
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   4

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