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CS-W001157 4
Total: USD 88.00

3,4-Dimethylbenzoic acid

  • CAS No. 619-04-5

  • Cat. No. CS-W018150
  • Purity≥97%
  • MDL No.MFCD00002524

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

3,4-Dimethylbenzoic acid|CS-W018150

Structure of 619-04-5

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General Information

  • CAS No. 619-04-5
  • Cat. No. CS-W018150
  • Purity ≥97%
  • MDL No. MFCD00002524
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₂
  • Molecular Weight None
  • Synonym(s) None
  • SMILES O=C(O)C1=CC=C(C)C(C)=C1

Description

3,4-Dimethylbenzoic acid features a benzoic acid core with methyl groups at the 3- and 4-positions, enhancing its lipophilicity and metabolic stability. This substitution pattern imparts favorable solubility characteristics and improves resistance to oxidative degradation under standard bench conditions. The compound serves as a valuable building block in medicinal chemistry and materials science due to its balanced electronic profile and robust handling properties.

Synthesis

  • Route1

    References

    • Nakamura, Ryota; Obora, Yasushi; Ishii, Yasutaka Advanced Synthesis and Catalysis, 2009 , vol. 351, # 10 p. 1677 - 1684
  • Route2
    • null|null
      95-47-6
    • null|null
      124-38-9
    • ~88%
    • In-stock
      3,4-Dimethylbenzoic acid|CS-W018150
      619-04-5
    • In-stock
      2,3-Dimethylbenzoic acid|CS-M0913
      603-79-2

    References

    • Olah, George A.; Toeroek, Bela; Joschek, Jens P.; Bucsi, Imre; Esteves, Pierre M.; Rasul, Golam; Prakash, G. K. Surya Journal of the American Chemical Society, 2002 , vol. 124, # 38 p. 11379 - 11391
  • Route3
    • 3,4-Dimethylcyclohex-3-ene-1-carboxylic acid|CS-0243030
      23182-07-2
    • ~99%
    • In-stock
      3,4-Dimethylbenzoic acid|CS-W018150
      619-04-5

    References

    • Izawa, Yusuke; Pun, Doris; Stahl, Shannon S. Science, 2011 , vol. 333, # 6039 p. 209 - 213

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.00164
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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