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CS-W001157 4
Total: USD 88.00

3-Butylbenzoic acid

  • CAS No. 20651-72-3

  • Cat. No. CS-0297416
  • Purity≥95%
  • MDL No.None

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

3-Butylbenzoic acid|CS-0297416

Structure of 20651-72-3

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General Information

  • CAS No. 20651-72-3
  • Cat. No. CS-0297416
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂
  • Molecular Weight 178.23
  • Synonym(s) 3-N-BUTYLBENZOIC ACID
  • SMILES CCCCC1=CC(=CC=C1)C(=O)O

Synthesis

  • Route1

    References

    • Buechi,J. et al. Arzneimittel Forschung, 1975 , vol. 25, p. 14 - 24
  • Route2
    • 2-Bromo-4-N-Butylaniline|CS-0739442
      51605-98-2
    • ~%
    • 3-Butylbenzoic acid|CS-0297416
      20651-72-3

    References

    • Buechi,J. et al. Arzneimittel Forschung, 1975 , vol. 25, p. 14 - 24
  • Route3
    • null|null
      124-38-9
    • 1-Bromo-3-butylbenzene|CS-0363927
      54887-20-6
    • ~%
    • 3-Butylbenzoic acid|CS-0297416
      20651-72-3

    References

    • Buechi,J. et al. Arzneimittel Forschung, 1975 , vol. 25, p. 14 - 24

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

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.7274
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   4

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