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CS-W001157 4
Total: USD 88.00

2-(Hydroxymethyl)-2-phenylpropane-1,3-diol

  • CAS No. 4704-99-8

  • Cat. No. CS-0332116
  • Purity≥98%
  • MDL No.None

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

2-(Hydroxymethyl)-2-phenylpropane-1,3-diol|CS-0332116

Structure of 4704-99-8

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General Information

  • CAS No. 4704-99-8
  • Cat. No. CS-0332116
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄O₃
  • Molecular Weight 182.22
  • Synonym(s) β,β-Bis(hydroxyMethyl)-benzeneethanol
  • SMILES C1=CC=C(C=C1)C(CO)(CO)CO

Synthesis

  • Route1
    • null|null
      50-00-0
    • null|null
      122-78-1
    • ~57%
    • 2-(Hydroxymethyl)-2-phenylpropane-1,3-diol|CS-0332116
      4704-99-8

    References

    • Hellmann, Konrad W.; Friedrich, Stefan; Gade, Lutz H.; Li, Wan-Sheung; McPartlin, Mary Chemische Berichte, 1995 , vol. 128, # 1 p. 29 - 34
  • Route2
    • null|null
      160820-67-7
    • ~65%
    • 2-(Hydroxymethyl)-2-phenylpropane-1,3-diol|CS-0332116
      4704-99-8

    References

    • Janssen, Bernd C.; Sernau, Volker; Huttner, Gottfried; Asam, Alexander; Walter, Olaf; et al. Chemische Berichte, 1995 , vol. 128, # 1 p. 63 - 70
  • Route3
    • null|null
      67590-44-7
    • ~%
    • 2-(Hydroxymethyl)-2-phenylpropane-1,3-diol|CS-0332116
      4704-99-8

    References

    • Cooper; Lawston; Rickard; Inch European Journal of Medicinal Chemistry, 1978 , vol. 13, # 3 p. 207 - 212

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

Quality Control

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Computational Chemistry Data

  • TPSA   60.69
  • LogP   -0.0987
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   4

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