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CS-W001157 4
Total: USD 88.00

Benzyl 5-hydroxypentanoate

  • CAS No. 134848-96-7

  • Cat. No. CS-0196695
  • Purity≥98%
  • MDL No.MFCD28127216

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

Benzyl 5-hydroxypentanoate|CS-0196695

Structure of 134848-96-7

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General Information

  • CAS No. 134848-96-7
  • Cat. No. CS-0196695
  • Purity ≥98%
  • MDL No. MFCD28127216
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O₃
  • Molecular Weight 208.26
  • Synonym(s) None
  • SMILES O=C(OCC=1C=CC=CC1)CCCCO

Synthesis

  • Route1

    References

    • Christiansen, Michael A.; Andrus, Merritt B. Tetrahedron Letters, 2012 , vol. 53, # 36 p. 4805 - 4808
  • Route2
    • 5-Hydroxypentanoic acid|CS-W022392
      13392-69-3
    • null|null
      100-39-0
    • ~%
    • Benzyl 5-hydroxypentanoate|CS-0196695
      134848-96-7

    References

    • PROTIVA BIOTHERAPEUTICS INC; Heyes, James; Wood, Mark; Martin, Alan; Lee, Amy C.H.; Judge, Adam; Robbins, Marjorie; MacLachlan, Ian Patent: US2013/123339 A1, 2013 ; Location in patent: Paragraph 0599-0601 ;
  • Route3

    References

    • Weber; Halgren; Doyle; Lynch; Siegl; Parsons; Greenlee; Patchett Journal of Medicinal Chemistry, 1991 , vol. 34, # 9 p. 2692 - 2701

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 : P260-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.8924
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   6

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