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CS-W001157 4
Total: USD 88.00

4-(3,4-Dimethylphenyl)-4-oxobutanoic acid

  • CAS No. 51036-98-7

  • Cat. No. CS-0308942
  • Purity95+%
  • MDL No.None

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

4-(3,4-Dimethylphenyl)-4-oxobutanoic acid|CS-0308942

Structure of 51036-98-7

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General Information

  • CAS No. 51036-98-7
  • Cat. No. CS-0308942
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄O₃
  • Molecular Weight 206.24
  • Synonym(s) 4-Oxo-4-[3.4]xylyl-buttersaeure
  • SMILES CC1=CC=C(C=C1C)C(=O)CCC(=O)O

Synthesis

  • Route1

    References

    • Mohile, Swapnil S.; Potdar, Mahesh K.; Salunkhe, Manikrao M. Journal of Chemical Research - Part S, 2003 , # 10 p. 650 - 651
  • Route2
    • Ethyl 4-(3,4-dimethylphenyl)-4-oxobutyrate|CS-0712809
      175394-01-1
    • null|null
      35288-13-2
    • ~%
    • 4-(3,4-Dimethylphenyl)-4-oxobutanoic acid|CS-0308942
      51036-98-7

    References

    • Takeda Chemical Industries, Ltd. Patent: US5716944 A1, 1998 ;

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-P304+P340-P305+P351+P338-P362-P403+P233-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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