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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 815-77-0

  • Cat. No. CS-0326356
  • Purity≥98%
  • MDL No.None

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

4-Hydroxy-2,5-dimethylhexan-3-one|CS-0326356

Structure of 815-77-0

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General Information

  • CAS No. 815-77-0
  • Cat. No. CS-0326356
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₆O₂
  • Molecular Weight 144.21
  • Synonym(s) Isobutyroin
  • SMILES CC(C)C(C(=O)C(C)C)O

Synthesis

  • Route1
    • null|null
      201230-82-2
    • null|null
      920-39-8
    • ~71%
    • 4-Hydroxy-2,5-dimethylhexan-3-one|CS-0326356
      815-77-0

    References

    • Kabalka, George W.; Li, Nan-Sheng; Yu, Su Tetrahedron Letters, 1997 , vol. 38, # 13 p. 2203 - 2206
  • Route2
    • null|null
      97-62-1
    • ~%
    • 4-Hydroxy-2,5-dimethylhexan-3-one|CS-0326356
      815-77-0

    References

    • Scheibler; Emden Justus Liebigs Annalen der Chemie, 1923 , vol. 434, p. 283 Full Text Show Details Bouveault; Locquin Bulletin de la Societe Chimique de France, 1906 , vol. <3>35, p. 644,646 Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1905 , vol. 140, p. 1699 Full Text Show Details Snell; McElvain Organic Syntheses, 1933 , vol. 13, p. 26
  • Route3
    • null|null
      78-84-2
    • ~38%
    • 4-Hydroxy-2,5-dimethylhexan-3-one|CS-0326356
      815-77-0

    References

    • Xu, Li-Wen; Gao, Yang; Yin, Jian-Jun; Li, Lyi; Xia, Chun-Gu Tetrahedron Letters, 2005 , vol. 46, # 32 p. 5317 - 5320

Safety Information

Download SDS
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   37.3
  • LogP   1.2284
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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