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CS-W001157 4
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4-(Isopentyloxy)benzoic acid

  • CAS No. 2910-85-2

  • Cat. No. CS-0465050
  • Purity≥98%
  • MDL No.MFCD01814579

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

4-(Isopentyloxy)benzoic acid|CS-0465050

Structure of 2910-85-2

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General Information

  • CAS No. 2910-85-2
  • Cat. No. CS-0465050
  • Purity ≥98%
  • MDL No. MFCD01814579
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₃
  • Molecular Weight 208.25
  • Synonym(s) 4-(3-METHYL-BUTOXY)-BENZOIC ACID
  • SMILES CC(C)CCOC1=CC=C(C=C1)C(=O)O

Synthesis

  • Route1

    References

    • Lauer; Moe Journal of the American Chemical Society, 1943 , vol. 65, p. 289,292
  • Route2
    • Ethyl 4-hydroxybenzoate Erlotinib Impurity|CS-0167068
      120-47-8
    • null|null
      107-82-4
    • ~%
    • 4-(Isopentyloxy)benzoic acid|CS-0465050
      2910-85-2

    References

    • Rohmann; Haas; Bergstermann Archiv der Pharmazie (Weinheim, Germany), 1940 , vol. 278, p. 425,434
  • Route3

    References

    • McElvain; Carney Journal of the American Chemical Society, 1946 , vol. 68, p. 2592,2599

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   2.8097
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   5

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