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CS-W001157 4
Total: USD 88.00

2-Hydroxy-5-isopropylbenzoic acid

  • CAS No. 31589-71-6

  • Cat. No. CS-0450931
  • Purity≥98%
  • MDL No.None

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

2-Hydroxy-5-isopropylbenzoic acid|CS-0450931

Structure of 31589-71-6

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General Information

  • CAS No. 31589-71-6
  • Cat. No. CS-0450931
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₃
  • Molecular Weight 180.20
  • Synonym(s) 2-Hydroxy-5-isopropyl-benzoesaeure
  • SMILES CC(C)C1=CC(=C(C=C1)O)C(=O)O

Synthesis

  • Route1
    • null|null
      99-89-8
    • null|null
      124-38-9
    • ~%
    • 2-Hydroxy-5-isopropylbenzoic acid|CS-0450931
      31589-71-6

    References

    • GLAXO GROUP LIMITED; GLAXOSMITHKLINE (CHINA) RandD COMPANY LIMITED; NICHOLS, Paula Louise; EATHERTON, Andrew John; BAMBOROUGH, Paul; JANDU, Karamjit Singh; PHILPS, Oliver James; ANDREOTTI, Daniele Patent: WO2011/38572 A1, 2011 ; Location in patent: Page/Page column 48 ; WO 2011/038572 A1
  • Route2
    • null|null
      67-63-0
    • Salicylic acid, ≥99%|CS-1268363
      69-72-7
    • ~%
    • 2-Hydroxy-5-isopropylbenzoic acid|CS-0450931
      31589-71-6

    References

    • Meyer,H.; Bernhauer Monatshefte fuer Chemie, 1929 , vol. 53/54, p. 728
  • Route3
    • null|null
      87188-65-6
    • ~%
    • 2-Hydroxy-5-isopropylbenzoic acid|CS-0450931
      31589-71-6

    References

    • Croxall; Sowa; Nieuwland Journal of Organic Chemistry, 1937 , vol. 2, p. 253,256

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

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   2.2138
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   2

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