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CS-W001157 4
Total: USD 88.00

2-Propylbenzoic acid

  • CAS No. 2438-03-1

  • Cat. No. CS-0258613
  • Molecule weight164.20
  • Purity≥98%
  • MDL No.None

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

2-Propylbenzoic acid|CS-0258613

Structure of 2438-03-1

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General Information

  • CAS No. 2438-03-1
  • Cat. No. CS-0258613
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂
  • Molecular Weight 164.20
  • Synonym(s) 2-n-Propylbenzoic acid
  • SMILES O=C(O)C1=CC=CC=C1CCC

Synthesis

  • Route1
    • o-Toluic acid Tolvaptan  Impurity|CS-0229343
      118-90-1
    • null|null
      75-03-6
    • ~98%
    • 2-Propylbenzoic acid|CS-0258613
      2438-03-1

    References

    • BRISTOL-MYERS SQUIBB COMPANY Patent: WO2008/79759 A1, 2008 ; Location in patent: Page/Page column 167 ; WO 2008/079759 A1
  • Route2

    References

    • Wang, Haibo; Liu, Jing; Deng, Yi; Min, Tianyin; Yu, Ganxiang; Wu, Xiaojun; Yang, Zhen; Lei, Aiwen Chemistry - A European Journal, 2009 , vol. 15, # 6 p. 1499 - 1507
  • Route3

    References

    • Wang, Haibo; Liu, Jing; Deng, Yi; Min, Tianyin; Yu, Ganxiang; Wu, Xiaojun; Yang, Zhen; Lei, Aiwen Chemistry - A European Journal, 2009 , vol. 15, # 6 p. 1499 - 1507

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.3373
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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