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CS-W001157 4
Total: USD 88.00

2,5,5-Trimethylhexan-2-ol

  • CAS No. 66793-71-3

  • Cat. No. CS-0524311
  • Molecule weight144.25
  • Purity≥98%
  • MDL No.None

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

2,5,5-Trimethylhexan-2-ol|CS-0524311

Structure of 66793-71-3

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General Information

  • CAS No. 66793-71-3
  • Cat. No. CS-0524311
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₂₀O
  • Molecular Weight 144.25
  • Synonym(s) 2-Hexanol,2,5,5-trimethyl
  • SMILES CC(O)(C)CCC(C)(C)C

Synthesis

  • Route1
    • 1-Chloro-3,3-dimethylbutane|CS-0239649
      2855-08-5
    • null|null
      67-64-1
    • ~41%
    • 2,5,5-Trimethylhexan-2-ol|CS-0524311
      66793-71-3

    References

    • Tilley, Leon J.; Shiner Jr. Journal of Physical Organic Chemistry, 1999 , vol. 12, # 7 p. 564 - 576
  • Route2
    • null|null
      3651-15-8
    • null|null
      67-64-1
    • ~%
    • 2,5,5-Trimethylhexan-2-ol|CS-0524311
      66793-71-3

    References

    • Botteron,D.G.; Shulman,G.P. Journal of Organic Chemistry, 1962 , vol. 27, p. 1059 - 1061
  • Route3
    • null|null
      3522-94-9
    • ~%
    • 2,5,5-Trimethylhexan-2-ol|CS-0524311
      66793-71-3

    References

    • Murray, Robert W.; Gu, Hong Journal of Physical Organic Chemistry, 1996 , vol. 9, # 11 p. 751 - 758

Safety Information

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GHS Pictogram : N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   20.23
  • LogP   2.5836
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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