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CS-W001157 4
Total: USD 88.00

4-(3,4-Dimethylphenyl)butanoic acid

  • CAS No. 5465-18-9

  • Cat. No. CS-0232965
  • Molecule weight192.25
  • Purity95+%
  • MDL No.None

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

4-(3,4-Dimethylphenyl)butanoic acid|CS-0232965

Structure of 5465-18-9

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General Information

  • CAS No. 5465-18-9
  • Cat. No. CS-0232965
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₂
  • Molecular Weight 192.25
  • Synonym(s) 4-(3,4-DIMETHYLPHENYL)BUTYRIC ACID
  • SMILES CC1=CC=C(CCCC(=O)O)C=C1C

Synthesis

  • Route1
    • 4-(3,4-Dimethylphenyl)-4-oxobutanoic acid|CS-0308942
      51036-98-7
    • ~90%
    • 4-(3,4-Dimethylphenyl)butanoic acid|CS-0232965
      5465-18-9

    References

    • Boberg, Friedrich; Jachiewicz, Adam; Garming, Alfons Phosphorus, Sulfur and Silicon and the Related Elements, 1992 , vol. 72, # 1-4 p. 1 - 12
  • Route2
    • null|null
      96-48-0
    • null|null
      95-47-6
    • ~17%
    • 4-(3,4-Dimethylphenyl)butanoic acid|CS-0232965
      5465-18-9
    • 4-(2,3-Dimethylphenyl)butanoic acid|CS-0345965
      13621-30-2

    References

    • Kadam; Desai; Mane Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2000 , vol. 39, # 10 p. 752 - 756
  • Route3
    • null|null
      54338-32-8
    • 4-(3,4-Dimethylphenyl)-4-oxobutanoic acid|CS-0308942
      51036-98-7
    • ~%
    • 4-(3,4-Dimethylphenyl)butanoic acid|CS-0232965
      5465-18-9

    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 : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.71074
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   4

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