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CS-W001157 4
Total: USD 88.00

4-(2,5-Dimethylphenyl)-4-oxobutanoic acid

  • CAS No. 5394-59-2

  • Cat. No. CS-0145966
  • Purity≥98%
  • MDL No.MFCD00020537

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

4-(2,5-Dimethylphenyl)-4-oxobutanoic acid|CS-0145966

Structure of 5394-59-2

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General Information

  • CAS No. 5394-59-2
  • Cat. No. CS-0145966
  • Purity ≥98%
  • MDL No. MFCD00020537
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₃
  • Molecular Weight 206.24
  • Synonym(s) Benzenebutanoic acid, 2,5-dimethyl-gamma-oxo-
  • SMILES O=C(CCC(O)=O)C1=C(C)C=CC(C)=C1

Synthesis

  • Route1
    • In-stock
      Succinic anhydride|CS-0011581
      108-30-5
    • null|null
      106-42-3
    • ~85%
    • In-stock
      4-(2,5-Dimethylphenyl)-4-oxobutanoic acid|CS-0145966
      5394-59-2

    References

    • Mahmoodi; Jazayri Synthetic Communications, 2001 , vol. 31, # 10 p. 1467 - 1475
  • Route2
    • null|null
      30084-95-8
    • ~%
    • In-stock
      4-(2,5-Dimethylphenyl)-4-oxobutanoic acid|CS-0145966
      5394-59-2

    References

    • Bulletin de la Societe Chimique de France, , p. 3023 - 3031
  • Route3
    • null|null
      106-42-3
    • ~%
    • In-stock
      4-(2,5-Dimethylphenyl)-4-oxobutanoic acid|CS-0145966
      5394-59-2

    References

    • Bulletin de la Societe Chimique de France, , p. 3023 - 3031

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   54.37
  • LogP   2.35094
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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