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CS-W001157 4
Total: USD 88.00

3-Acetoxy-2-methylbenzoic acid

  • CAS No. 168899-58-9

  • Cat. No. CS-0128915
  • Molecule weight194.18
  • Purity≥95%
  • MDL No.MFCD00957176

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

3-Acetoxy-2-methylbenzoic acid|CS-0128915

Structure of 168899-58-9

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General Information

  • CAS No. 168899-58-9
  • Cat. No. CS-0128915
  • Purity ≥95%
  • MDL No. MFCD00957176
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₀O₄
  • Molecular Weight 194.18
  • Synonym(s) 3-Acetoxy-o-toluic Acid; 3-Acetoxy-2-methylbenzoic acid
  • SMILES O=C(O)C1=CC=CC(OC(C)=O)=C1C

Synthesis

  • Route1
    • Sodium naphthalene-1,3,5-trisulfonate|CS-0699422
      10533-44-5
    • null|null
      108-24-7
    • ~73%
    • In-stock
      3-Acetoxy-2-methylbenzoic acid|CS-0128915
      168899-58-9

    References

    • Bayer Aktiengesellschaft Patent: EP1371625 A1, 2003 ; Location in patent: Page 7 ;
  • Route2
    • In-stock
      3-Hydroxy-2-methylbenzoic acid|CS-W019788
      603-80-5
    • null|null
      108-24-7
    • ~99%
    • In-stock
      3-Acetoxy-2-methylbenzoic acid|CS-0128915
      168899-58-9

    References

    • Bayer Aktiengesellschaft Patent: EP1371625 A1, 2003 ; Location in patent: Page 7 ;
  • Route3

    References

    • Clariant GmbH Patent: US5910605 A1, 1999 ;

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

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