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CS-W001157 4
Total: USD 88.00

3-Oxobutyl acetate

  • CAS No. 10150-87-5

  • Cat. No. CS-0155058
  • Molecule weight130.14
  • Purity≥97%
  • MDL No.MFCD00010230

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

3-Oxobutyl acetate|CS-0155058

Structure of 10150-87-5

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General Information

  • CAS No. 10150-87-5
  • Cat. No. CS-0155058
  • Purity ≥97%
  • MDL No. MFCD00010230
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₀O₃
  • Molecular Weight 130.14
  • Synonym(s) 4-ACETOXY-2-BUTANONE TECH
  • SMILES CC(=O)CCOC(=O)C

Synthesis

  • Route1
    • null|null
      628-08-0
    • ~%
    • 3-Oxobutyl acetate|CS-0155058
      10150-87-5

    References

    • Osaka University; JX NIPPON OIL and ENERGY CORPORATION Patent: US2012/197036 A1, 2012 ; Location in patent: Page/Page column 7; 8-9 ;
  • Route2
    • 3-Hydroxybutyl acetate|CS-1229974
      1851-86-1
    • ~90%
    • 3-Oxobutyl acetate|CS-0155058
      10150-87-5

    References

    • Schultz, Mitchell J.; Hamilton, Steven S.; Jensen, David R.; Sigman, Matthew S. Journal of Organic Chemistry, 2005 , vol. 70, # 9 p. 3343 - 3352
  • Route3
    • But-3-yn-1-yl acetate|CS-0242576
      56703-55-0
    • ~%
    • null|null
      6564-95-0
    • 3-Oxobutyl acetate|CS-0155058
      10150-87-5

    References

    • Chevallier, Floris; Breit, Bernhard Angewandte Chemie - International Edition, 2006 , vol. 45, # 10 p. 1599 - 1602

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   0.5286
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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