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CS-W001157 4
Total: USD 88.00

1-Hydroxy-3,3-dimethylbutan-2-one

  • CAS No. 38895-88-4

  • Cat. No. CS-0199416
  • Molecule weight116.16
  • Purity≥97%
  • MDL No.None

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

1-Hydroxy-3,3-dimethylbutan-2-one|CS-0199416

Structure of 38895-88-4

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General Information

  • CAS No. 38895-88-4
  • Cat. No. CS-0199416
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₂O₂
  • Molecular Weight 116.16
  • Synonym(s) 1-hydroxy-3,3-dimethyl-butan-2-one
  • SMILES CC(C)(C)C(CO)=O

Synthesis

  • Route1

    References

    • Dumas, Jacques; Khire, Uday; Lowinger, Timothy B.; Paulsen, Holger; Riedl, Bernd; Scott, William J.; Smith, Roger A.; Wood, Jill E.; Hatoum-Mokdad, Holia; Johnson, Jeffrey; Lee, Wendy; Redman, Aniko; Sibley, Robert; Renick, Joel Patent: US2007/244120 A1, 2007 ; Location in patent: Page/Page column 16 ; US 20070244120 A1
  • Route2
    • null|null
      17510-46-2
    • ~96%
    • 1-Hydroxy-3,3-dimethylbutan-2-one|CS-0199416
      38895-88-4

    References

    • Dayan, Sharon; Bareket, Yifat; Rozen, Shlomo Tetrahedron, 1999 , vol. 55, # 12 p. 3657 - 3664
  • Route3
    • 3,3-Dimethyl-2-oxobutyl acetate|CS-0964443
      38559-25-0
    • ~75%
    • 1-Hydroxy-3,3-dimethylbutan-2-one|CS-0199416
      38895-88-4

    References

    • Paizs, Csaba; Tosa, Monica; Majdik, Cornelia; Bodai, Viktoria; Novak, Lajos; Irimie, Florin-Dan; Poppe, Laszlo Journal of the Chemical Society. Perkin Transactions 1, 2002 , # 21 p. 2400 - 2402

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS07
Signal Word : Danger
UN#: 1224
Class : 3
Packing Group : Ⅱ
Hazard Statements : H225-H315-H319-H335
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   0.5939
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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