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CS-W001157 4
Total: USD 88.00

1,3,5-Pentanetricarboxylic Acid

  • CAS No. 6940-58-5

  • Cat. No. CS-0158416
  • Purity≥98%
  • MDL No.MFCD00020546

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

1,3,5-Pentanetricarboxylic Acid|CS-0158416

Structure of 6940-58-5

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General Information

  • CAS No. 6940-58-5
  • Cat. No. CS-0158416
  • Purity ≥98%
  • MDL No. MFCD00020546
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂O₆
  • Molecular Weight 204.18
  • Synonym(s) 4-Carboxyheptanedioic acid
  • SMILES C(CC(=O)O)C(CCC(=O)O)C(=O)O

Description

Coumarin is an anticoagulant found in medicinal plants and used in phytomedicine for the treatment of venous diseases. This compound is found to have anti-tumor activities in several human cells lines.

Synthesis

  • Route1
    • 1,3-Diethyl 2,2-bis(2-cyanoethyl)propanedioate|CS-0308727
      1444-05-9
    • ~87%
    • In-stock
      1,3,5-Pentanetricarboxylic Acid|CS-0158416
      6940-58-5

    References

    • Suissa, M. Rachel; Romming, Christian; Dale, Johannes Chemistry - A European Journal, 1999 , vol. 5, # 10 p. 3055 - 3065
  • Route2
    • null|null
      99358-58-4
    • ~%
    • In-stock
      1,3,5-Pentanetricarboxylic Acid|CS-0158416
      6940-58-5

    References

    • Farbenfabr. Bayer Patent: DE909809 , 1951 ; Full Text Show Details Mariella et al. Journal of Organic Chemistry, 1955 , vol. 20, p. 1702,1707
  • Route3
    • 2-(3-Ethoxy-2-(ethoxycarbonyl)-3-oxopropyl)malonic acid|CS-0551158
      2121-66-6
    • ~%
    • In-stock
      1,3,5-Pentanetricarboxylic Acid|CS-0158416
      6940-58-5

    References

    • Edwards Journal of the Chemical Society. Perkin transactions 1, 1966 , vol. 19, p. 1734 - 1737

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   111.9
  • LogP   0.4168
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   7

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