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2-Hydroxy-1,2-bis(4-methylphenyl)ethan-1-one

  • CAS No. 1218-89-9

  • Cat. No. CS-0214682
  • Purity≥95%
  • MDL No.MFCD00008555

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

2-Hydroxy-1,2-bis(4-methylphenyl)ethan-1-one|CS-0214682

Structure of 1218-89-9

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General Information

  • CAS No. 1218-89-9
  • Cat. No. CS-0214682
  • Purity ≥95%
  • MDL No. MFCD00008555
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₆O₂
  • Molecular Weight None
  • Synonym(s) 4,4-Dimethylbenzoin
  • SMILES CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C)C=C2)O

Description

This ketone features a hydroxyl group flanked by two para-methylphenyl substituents, delivering enhanced solubility and stability. The electron-donating methyl groups increase resonance stabilization, while the adjacent hydroxyl enables hydrogen bonding. This combination enhances performance in photochemical applications and polymer synthesis under standard conditions.

Synthesis

  • Route1

    References

    • Synlett, , # 7 p. 1267 - 1269
  • Route2

    References

    • Synthetic Communications, , vol. 44, # 2 p. 259 - 266
  • Route3

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 42, # 12 p. 2633 - 2635

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   37.3
  • LogP   3.21974
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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