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CS-W001157 4
Total: USD 88.00

3-(4-Isobutylphenyl)acrylic acid

  • CAS No. 66734-95-0

  • Cat. No. CS-0368984
  • Purity95+%
  • MDL No.None

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

3-(4-Isobutylphenyl)acrylic acid|CS-0368984

Structure of 66734-95-0

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General Information

  • CAS No. 66734-95-0
  • Cat. No. CS-0368984
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₆O₂
  • Molecular Weight 204.26
  • Synonym(s) 4-Isobutylcinnamic acid
  • SMILES O=C(O)/C=C/C1=CC=C(CC(C)C)C=C1

Synthesis

  • Route1
    • null|null
      201230-82-2
    • 1-Ethynyl-4-(2-methylpropyl)benzene|CS-0237505
      132464-91-6
    • ~%
    • 4'-Isobutylacetophenone Ibuprofen Impurity|CS-0228883
      38861-78-8
    • In-stock
      Ibuprofen|CS-1931
      15687-27-1
    • 3-(4-Isobutylphenyl)acrylic acid|CS-0368984
      66734-95-0

    References

    • Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, , vol. 40, # 12 p. 1166 - 1169
  • Route2
    • null|null
      141-82-2
    • 4-Isobutylbenzaldehyde|CS-0134075
      40150-98-9
    • ~88%
    • 3-(4-Isobutylphenyl)acrylic acid|CS-0368984
      66734-95-0

    References

    • Summers, James B.; Gunn, Bruce P.; Mazdiyasni, Hormoz; Goetze, Andrew M.; Young, Patrick R.; et al. Journal of Medicinal Chemistry, 1987 , vol. 30, # 11 p. 2121 - 2126
  • Route3
    • 4'-Isobutylacetophenone Ibuprofen Impurity|CS-0228883
      38861-78-8
    • ~%
    • 3-(4-Isobutylphenyl)acrylic acid|CS-0368984
      66734-95-0

    References

    • Journal of Medicinal Chemistry, , vol. 30, # 11 p. 2121 - 2126

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-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.9829
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   4

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