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CS-W001157 4
Total: USD 88.00

Methyl 2-oxobutanoate

  • CAS No. 3952-66-7

  • Cat. No. CS-W013615
  • Purity≥95%
  • MDL No.MFCD03093092

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

Methyl 2-oxobutanoate|CS-W013615

Structure of 3952-66-7

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General Information

  • CAS No. 3952-66-7
  • Cat. No. CS-W013615
  • Purity ≥95%
  • MDL No. MFCD03093092
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈O₃
  • Molecular Weight 116.12
  • Synonym(s) Methyl 2-Oxobutyrate
  • SMILES CCC(C(OC)=O)=O

Synthesis

  • Route1

    References

    • Kuraray Co., Ltd. Patent: EP1405841 A1, 2004 ; Location in patent: Page 5-6 ;
  • Route2

    References

    • Kuraray Co., Ltd., Kurashiki Plant Patent: EP1748040 A1, 2007 ; Location in patent: Page/Page column 7 ;
  • Route3
    • 2-Oxobutanoic acid, ≥95%|CS-1268406
      600-18-0
    • ~47%
    • In-stock
      Methyl 2-oxobutanoate|CS-W013615
      3952-66-7

    References

    • Surtees, John; Marmon, Violeta; Differding, Edmond; Zimmermann, Vincent Patent: US2003/40631 A1, 2003 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS08
Signal Word : Danger
UN#: 1993
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226-H334
Precautionary Statements : P210-P233-P240-P241-P242-P243-P261-P270-P280-P285-P303+P361+P353-P304+P341-P342+P311-P370+P378-P403+P235-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   0.1385
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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