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CS-W001157 4
Total: USD 88.00

2,4-Bis(propan-2-yl)benzoic acid

  • CAS No. 108961-55-3

  • Cat. No. CS-0231856
  • Molecule weight206.28
  • Purity≥97%
  • MDL No.None

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

2,4-Bis(propan-2-yl)benzoic acid|CS-0231856

Structure of 108961-55-3

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General Information

  • CAS No. 108961-55-3
  • Cat. No. CS-0231856
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O₂
  • Molecular Weight 206.28
  • Synonym(s) 2,4-Diisopropylbenzoic acid
  • SMILES CC(C)C1=CC(=C(C=C1)C(=O)O)C(C)C

Synthesis

  • Route1
    • null|null
      68459-95-0
    • ~%
    • 2,4-Bis(propan-2-yl)benzoic acid|CS-0231856
      108961-55-3

    References

    • Crounse Journal of the American Chemical Society, 1949 , vol. 71, p. 1263
  • Route2
    • null|null
      98-82-8
    • ~%
    • 2,4-Bis(propan-2-yl)benzoic acid|CS-0231856
      108961-55-3

    References

    • Crounse Journal of the American Chemical Society, 1949 , vol. 71, p. 1263

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.6316
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   3

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