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CS-W001157 4
Total: USD 88.00

2-Hydroxypropyl benzoate

  • CAS No. 37086-84-3

  • Cat. No. CS-0511480
  • Purity≥98%
  • MDL No.None

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

2-Hydroxypropyl benzoate|CS-0511480

Structure of 37086-84-3

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General Information

  • CAS No. 37086-84-3
  • Cat. No. CS-0511480
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₃
  • Molecular Weight 180.20
  • Synonym(s) propylene glycol-1-benzoate
  • SMILES O=C(OCC(O)C)C1=CC=CC=C1

Synthesis

  • Route1

    References

    • Khalafi-Nezhad; Soltani Rad; Khoshnood Synthesis, 2003 , # 16 p. 2552 - 2558
  • Route2
    • 4-Methyl-2-phenyl-1,3-dioxolane, ≥95%|CS-1269147
      2568-25-4
    • ~%
    • 1-Hydroxypropan-2-yl benzoate|CS-1634891
      51591-52-7
    • 2-Hydroxypropyl benzoate|CS-0511480
      37086-84-3

    References

    • Nai-ju, Huang; Liang-heng, Xu Synthetic Communications, 1990 , vol. 20, # 10 p. 1563 - 1567
  • Route3

    References

    • Lee, Doris; Williamson, Caitlin L.; Chan, Lina; Taylor, Mark S. Journal of the American Chemical Society, 2012 , vol. 134, # 19 p. 8260 - 8267

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.2242
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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