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CS-W001157 4
Total: USD 88.00

5-(1,1-Dimethylethyl)salicylicacid

  • CAS No. 16094-31-8

  • Cat. No. CS-0130465
  • Purity≥96%
  • MDL No.None

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

5-(1,1-Dimethylethyl)salicylicacid|CS-0130465

Structure of 16094-31-8

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General Information

  • CAS No. 16094-31-8
  • Cat. No. CS-0130465
  • Purity ≥96%
  • MDL No. None
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₃
  • Molecular Weight 194.23
  • Synonym(s) 5-tert-Butyl-2-hydroxybenzoic acid
  • SMILES OC1=CC=C(C=C1C(O)=O)C(C)(C)C

Synthesis

  • Route1

    References

    • Institute of Medicinal Molecular Design, Inc. Patent: EP1510207 A1, 2005 ; Location in patent: Page/Page column 125 ; EP 1510207 A1
  • Route2
    • null|null
      1634-04-4
    • Salicylic acid, ≥99%|CS-1268363
      69-72-7
    • ~51%
    • In-stock
      5-(1,1-Dimethylethyl)salicylicacid|CS-0130465
      16094-31-8

    References

    • Adelhardt, Mario; Chalkley, Matthew J.; Heinemann, Frank W.; Sutter, Joerg; Scheurer, Andreas; Meyer, Karsten Inorganic Chemistry, 2014 , vol. 53, # 6 p. 2763 - 2765
  • Route3
    • null|null
      56-23-5
    • null|null
      98-54-4
    • ~%
    • In-stock
      5-(1,1-Dimethylethyl)salicylicacid|CS-0130465
      16094-31-8

    References

    • Journal of the Indian Chemical Society, , vol. 32, p. 619

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-P280-P302+P352

Quality Control

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Computational Chemistry Data

  • TPSA   57.53
  • LogP   2.3879
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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