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CS-W001157 4
Total: USD 88.00

3-[4-(propan-2-yl)phenyl]butanoic acid

  • CAS No. 53086-50-3

  • Cat. No. CS-0217691
  • Purity≥95%
  • MDL No.None

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

3-[4-(propan-2-yl)phenyl]butanoic acid|CS-0217691

Structure of 53086-50-3

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General Information

  • CAS No. 53086-50-3
  • Cat. No. CS-0217691
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O₂
  • Molecular Weight 206.28
  • Synonym(s) 3-(4-Isopropylphenyl)butanoic acid
  • SMILES CC(C1=CC=C(C(C)C)C=C1)CC(O)=O

Synthesis

  • Route1
    • 1-[4-(Propan-2-yl)phenyl]ethan-1-ol|CS-0717133
      1475-10-1
    • ~%
    • In-stock
      3-[4-(propan-2-yl)phenyl]butanoic acid|CS-0217691
      53086-50-3

    References

    • Kuchar; Brunova; Rejholec; et al. Collection of Czechoslovak Chemical Communications, 1976 , vol. 41, # 2 p. 633 - 646
  • Route2
    • 1-(4-Isopropylphenyl)ethanone|CS-W010857
      645-13-6
    • ~%
    • In-stock
      3-[4-(propan-2-yl)phenyl]butanoic acid|CS-0217691
      53086-50-3

    References

    • Kuchar; Brunova; Rejholec; et al. Collection of Czechoslovak Chemical Communications, 1976 , vol. 41, # 2 p. 633 - 646
  • Route3

    References

    • Kuchar; Brunova; Rejholec; et al. Collection of Czechoslovak Chemical Communications, 1976 , vol. 41, # 2 p. 633 - 646

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.3882
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   4

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