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CS-W001157 4
Total: USD 88.00

tert-Butyl acetoacetate

  • CAS No. 1694-31-1

  • Cat. No. CS-0006847
  • Purity≥97%
  • MDL No.MFCD00008811

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

tert-Butyl acetoacetate|CS-0006847

Structure of 1694-31-1

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General Information

  • CAS No. 1694-31-1
  • Cat. No. CS-0006847
  • Purity ≥97%
  • MDL No. MFCD00008811
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₃
  • Molecular Weight 158.20
  • Synonym(s) tert-butyl 3-oxobutanoate; tert-Butyl acetoacetate
  • SMILES CC(CC(OC(C)(C)C)=O)=O

Synthesis

  • Route1
    • In-stock
      Ethyl acetoacetate|CS-0016216
      141-97-9
    • null|null
      75-65-0
    • ~77%
    • In-stock
      tert-Butyl acetoacetate|CS-0006847
      1694-31-1

    References

    • Das, Rima; Chakraborty, Debashis Applied Organometallic Chemistry, 2012 , vol. 26, # 3 p. 140 - 144
  • Route2
    • In-stock
      Methyl acetylacetate|CS-0017265
      105-45-3
    • null|null
      75-65-0
    • ~76%
    • In-stock
      tert-Butyl acetoacetate|CS-0006847
      1694-31-1

    References

    • Bandgar; Pandit; Uppalla Organic Preparations and Procedures International, 2003 , vol. 35, # 2 p. 219 - 222
  • Route3
    • null|null
      107-59-5
    • null|null
      201230-82-2
    • null|null
      74-88-4
    • ~83%
    • In-stock
      tert-Butyl acetoacetate|CS-0006847
      1694-31-1

    References

    • Laurent, Pascale; Tanguy, Guy; Abbayes, Herve des Journal of the Chemical Society, Chemical Communications, 1986 , # 24 p. 1754 - 1756

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.3072
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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