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CS-W001157 4
Total: USD 88.00

2-Phenethylbenzoic acid

  • CAS No. 4890-85-1

  • Cat. No. CS-0081123
  • Molecule weight226.27
  • Purity≥97%
  • MDL No.MFCD00002485

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

2-Phenethylbenzoic acid|CS-0081123

Structure of 4890-85-1

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General Information

  • CAS No. 4890-85-1
  • Cat. No. CS-0081123
  • Purity ≥97%
  • MDL No. MFCD00002485
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₄O₂
  • Molecular Weight 226.27
  • Synonym(s) PHENYL ETHYL BENZOIC ACID
  • SMILES O=C(O)C1=CC=CC=C1CCC2=CC=CC=C2

Synthesis

  • Route1
    • null|null
      869070-21-3
    • ~0%
    • null|null
      198707-81-2
    • 2-Phenethylbenzoic acid|CS-0081123
      4890-85-1

    References

    • NOVO NORDISK A/S Patent: WO2005/105736 A1, 2005 ; Location in patent: Page/Page column 29-30 ; WO 2005/105736 A1
  • Route2
    • null|null
      5079-90-3
    • ~96%
    • 2-Phenethylbenzoic acid|CS-0081123
      4890-85-1

    References

    • Lamani, Manjunath; Guralamata, Ravikumara Siddappa; Prabhu, Kandikere Ramaiah Chemical Communications, 2012 , vol. 48, # 52 p. 6583 - 6585
  • Route3
    • null|null
      4767-56-0
    • ~97%
    • 2-Phenethylbenzoic acid|CS-0081123
      4890-85-1

    References

    • Regla, Ignacio; Reyes, Adelfo; Koerber, Claudia; Demare, Patricia; Estrada, Osvaldo; Juaristi, Eusebio Synthetic Communications, 1997 , vol. 27, # 5 p. 817 - 823

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   3.17
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   4

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