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CS-W001157 4
Total: USD 88.00

3,5-Dimethylbenzoic acid

  • CAS No. 499-06-9

  • Cat. No. CS-W019514
  • Purity≥97%
  • MDL No.MFCD00002525

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

3,5-Dimethylbenzoic acid|CS-W019514

Structure of 499-06-9

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General Information

  • CAS No. 499-06-9
  • Cat. No. CS-W019514
  • Purity ≥97%
  • MDL No. MFCD00002525
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀O₂
  • Molecular Weight 150.17
  • Synonym(s) m-Xylene-5-carboxylic Acid
  • SMILES O=C(C1=CC(C)=CC(C)=C1)O

Description

3,5-Dimethylbenzoic acid features a benzoic acid core with methyl groups at the 3 and 5 positions, conferring enhanced steric bulk and electron-donating character. This configuration improves solubility in organic solvents and provides resistance to oxidative degradation under standard bench conditions. The compound serves as a valuable building block in synthetic routes requiring hindered aromatic carboxylic acids, particularly in medicinal chemistry and polymer synthesis where controlled reactivity is essential.

Synthesis

  • Route1
    • null|null
      108-67-8
    • ~94%
    • In-stock
      3,5-Dimethylbenzoic acid|CS-W019514
      499-06-9

    References

    • Nikalje, Milind D.; Sudalai Tetrahedron, 1999 , vol. 55, # 18 p. 5903 - 5908
  • Route2
    • null|null
      124-38-9
    • In-stock
      1-Iodo-3,5-dimethylbenzene|CS-W014173
      22445-41-6
    • ~79%
    • In-stock
      3,5-Dimethylbenzoic acid|CS-W019514
      499-06-9

    References

    • Tran-Vu, Hung; Daugulis, Olafs ACS Catalysis, 2013 , vol. 3, # 10 p. 2417 - 2420
  • Route3
    • null|null
      108-67-8
    • ~26%
    • In-stock
      3,5-Dimethylbenzoic acid|CS-W019514
      499-06-9
    • In-stock
      3,5-Dimethylbenzaldehyde|CS-W002343
      5779-95-3

    References

    • Stephens Journal of the American Chemical Society, 1926 , vol. 48, p. 1826

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

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