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CS-W001157 4
Total: USD 88.00

Ethyl 3-hydroxy-2,2-dimethylbutanoate

  • CAS No. 7505-94-4

  • Cat. No. CS-0278409
  • Molecule weight160.21
  • Purity≥98%
  • MDL No.None

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

Ethyl 3-hydroxy-2,2-dimethylbutanoate|CS-0278409

Structure of 7505-94-4

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General Information

  • CAS No. 7505-94-4
  • Cat. No. CS-0278409
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₆O₃
  • Molecular Weight 160.21
  • Synonym(s) ethyl 3-hydroxy-2,2-dimethyl-butanoate
  • SMILES CC(O)C(C)(C)C(OCC)=O

Synthesis

  • Route1
    • Ethyl 2,2-dimethyl-3-oxobutanoate|CS-0134663
      597-04-6
    • ~83%
    • Ethyl 3-hydroxy-2,2-dimethylbutanoate|CS-0278409
      7505-94-4

    References

    • Boyd, Victoria L.; Summers, Michael F.; Ludeman, Susan Marie; Egan, William; Zon, Gerald; Regan, Judith B. Journal of Medicinal Chemistry, 1987 , vol. 30, p. 366 - 374
  • Route2
    • null|null
      75-07-0
    • null|null
      97-62-1
    • ~88%
    • Ethyl 3-hydroxy-2,2-dimethylbutanoate|CS-0278409
      7505-94-4

    References

    • Hayashi; Orikasa; Tanaka; Kanoh; Kiso Journal of Organic Chemistry, 2000 , vol. 65, # 24 p. 8402 - 8405
  • Route3
    • null|null
      600-00-0
    • null|null
      75-07-0
    • ~90%
    • Ethyl 3-hydroxy-2,2-dimethylbutanoate|CS-0278409
      7505-94-4

    References

    • Eilbracht, Peter; Acker, Michael; Rosenstock, Bernd Chemische Berichte, 1989 , vol. 122, p. 151 - 158

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   0.9565
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   3

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