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CS-W001157 4
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5-Butylbenzene-1,3-diol

  • CAS No. 46113-76-2

  • Cat. No. CS-0468821
  • Molecule weight166.22
  • Purity≥98%
  • MDL No.None

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

5-Butylbenzene-1,3-diol|CS-0468821

Structure of 46113-76-2

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General Information

  • CAS No. 46113-76-2
  • Cat. No. CS-0468821
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄O₂
  • Molecular Weight 166.22
  • Synonym(s) None
  • SMILES OC1=CC(CCCC)=CC(O)=C1

Synthesis

  • Route1
    • null|null
      51768-57-1
    • ~77%
    • 5-Butylbenzene-1,3-diol|CS-0468821
      46113-76-2

    References

    • NEUROPORE THERAPIES, INC.; WRASIDLO, Wolfgang Patent: WO2013/148365 A1, 2013 ; Location in patent: Page/Page column 0089 ;
  • Route2

    References

    • Ayer, William A.; Browne, Lois M.; Lovell, Sarah H. Phytochemistry (Elsevier), 1983 , vol. 22, # 10 p. 2267 - 2272
  • Route3

    References

    • Ayer, William A.; Browne, Lois M.; Lovell, Sarah H. Phytochemistry (Elsevier), 1983 , vol. 22, # 10 p. 2267 - 2272

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-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   40.46
  • LogP   2.4404
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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