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1-(Benzyloxy)-2-methylpropan-2-ol

  • CAS No. 91968-72-8

  • Cat. No. CS-0578596
  • Molecule weight180.24
  • Purity≥98%
  • MDL No.None

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

1-(Benzyloxy)-2-methylpropan-2-ol|CS-0578596

Structure of 91968-72-8

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General Information

  • CAS No. 91968-72-8
  • Cat. No. CS-0578596
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆O₂
  • Molecular Weight 180.24
  • Synonym(s) 1-Benzyloxy-2-methyl-propan-2-ol
  • SMILES CC(C)(COCC1=CC=CC=C1)O

Synthesis

  • Route1

    References

    • F. HOFFMANN-LA ROCHE AG; GENENTECH, INC.; BAKER-GLENN, Charles; CHAN, Bryan K.; DOTSON, Jennafer; ESTRADA, Anthony; HEFFRON, Timothy; LYSSIKATOS, Joseph; SWEENEY, Zachary Kevin Patent: WO2013/164323 A1, 2013 ; Location in patent: Page/Page column 44 ;
  • Route2
    • Benzylidenetriphenyl-lambda5-phosphane|CS-0582764
      16721-45-2
    • ~%
    • 1-(Benzyloxy)-2-methylpropan-2-ol|CS-0578596
      91968-72-8

    References

    • Adam, Waldemar; Harrer, Heinrich M.; Treiber, Alexander Journal of the American Chemical Society, 1994 , vol. 116, # 17 p. 7581 - 7587
  • Route3

    References

    • Chen, Xiangning; Hortelano, Edwin R.; Eliel, Ernest L.; Frye, Stephen V. Journal of the American Chemical Society, 1992 , vol. 114, # 5 p. 1778 - 1784

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

Quality Control

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Computational Chemistry Data

  • TPSA   29.46
  • LogP   1.9741
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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