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CS-W001157 4
Total: USD 88.00

4-Hydroxy-2,2,5,5-tetramethylhexan-3-one

  • CAS No. 815-66-7

  • Cat. No. CS-0070964
  • Molecule weight172.26
  • Purity≥97%
  • MDL No.MFCD00044691

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

4-Hydroxy-2,2,5,5-tetramethylhexan-3-one|CS-0070964

Structure of 815-66-7

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General Information

  • CAS No. 815-66-7
  • Cat. No. CS-0070964
  • Purity ≥97%
  • MDL No. MFCD00044691
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₂₀O₂
  • Molecular Weight 172.26
  • Synonym(s) Pivaloin
  • SMILES O=C(C(C)(C)C)C(O)C(C)(C)C

Synthesis

  • Route1

    References

    • Shineer, Cristofer S.; Berks, Andrew H.; Fisher, Allison, M. Journal of the American Chemical Society, 1988 , vol. 110, # 3 p. 957 - 958
  • Route2
    • null|null
      55073-87-5
    • ~61%
    • 4-Hydroxy-2,2,5,5-tetramethylhexan-3-one|CS-0070964
      815-66-7

    References

    • AIR PRODUCTS AND CHEMICALS, INC. Patent: US2012/35351 A1, 2012 ; Location in patent: Page/Page column 26 ;
  • Route3
    • null|null
      124287-52-1
    • In-stock
      Trimethylacetaldehyde|CS-0017962
      630-19-3
    • ~25%
    • null|null
      14609-79-1
    • 4-Hydroxy-2,2,5,5-tetramethylhexan-3-one|CS-0070964
      815-66-7

    References

    • Journal of the American Chemical Society, , vol. 112, # 1 p. 455 - 457

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   37.3
  • LogP   2.0086
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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