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2-(Acetyloxy)-5-methylbenzoic acid

  • CAS No. 14504-08-6

  • Cat. No. CS-0248683
  • Molecule weight194.18
  • Purity≥97%
  • MDL No.None

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

2-(Acetyloxy)-5-methylbenzoic acid|CS-0248683

Structure of 14504-08-6

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General Information

  • CAS No. 14504-08-6
  • Cat. No. CS-0248683
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₄
  • Molecular Weight 194.18
  • Synonym(s) Acetyl-p-kresotinsaeure
  • SMILES O=C(O)C1=CC(C)=CC=C1OC(C)=O

Synthesis

  • Route1

    References

    • Athanasellis, Giorgos; Melagraki, Georgia; Chatzidakis, Haralambos; Afantitis, Antreas; Detsi, Anastasia; Igglessi-Markopoulou, Olga; Markopoulos, John Synthesis, 2004 , # 11 p. 1775 - 1782
  • Route2

    References

    • Sauerbrei, Bernd; Jungmann, Volker; Waldmann, Herbert Angewandte Chemie - International Edition, 1998 , vol. 37, # 8 p. 1143 - 1146
  • Route3

    References

    • BASF Aktiengesellschaft Patent: US6271345 B1, 2001 ;

Safety Information

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

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.61852
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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