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CS-W001157 4
Total: USD 88.00

3-Ethoxybenzoic acid

  • CAS No. 621-51-2

  • Cat. No. CS-0100628
  • Purity≥97%
  • MDL No.MFCD00016517

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

3-Ethoxybenzoic acid|CS-0100628

Structure of 621-51-2

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General Information

  • CAS No. 621-51-2
  • Cat. No. CS-0100628
  • Purity ≥97%
  • MDL No. MFCD00016517
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₃
  • Molecular Weight 166.18
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=CC(OCC)=C1

Description

3-Ethoxybenzoic acid is a xenobiotic compound.

Synthesis

  • Route1

    References

    • Master, Hoshang E.; Khan, Shabana I.; Poojari, Krishna A. Bioorganic and Medicinal Chemistry, 2005 , vol. 13, # 16 p. 4891 - 4899
  • Route2

    References

    • Van Calenbergh; Verlinde; Seehens; De Bruyn; Callens; Blaton; Peeters; Rozenski; Hol; Herdewijn Journal of Medicinal Chemistry, 1995 , vol. 38, # 19 p. 3838 - 3849
  • Route3

    References

    • Journal of the Chemical Society, , vol. 97, p. 1747

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.7835
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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