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CS-W001157 4
Total: USD 88.00

Heptane-2,3-dione

  • CAS No. 96-04-8

  • Cat. No. CS-0329990
  • Purity≥95%
  • MDL No.None

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

Heptane-2,3-dione|CS-0329990

Structure of 96-04-8

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General Information

  • CAS No. 96-04-8
  • Cat. No. CS-0329990
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₁₂O₂
  • Molecular Weight 128.17
  • Synonym(s) Acetylvaleryl
  • SMILES CCCCC(=O)C(=O)C

Synthesis

  • Route1
    • null|null
      303186-53-0
    • ~73%
    • In-stock
      Heptane-2,3-dione|CS-0329990
      96-04-8

    References

    • Tehrani; Boeykens; Tyvorskii; Kulinkovich; De Kimpe Tetrahedron, 2000 , vol. 56, # 35 p. 6541 - 6548
  • Route2
    • null|null
      109-72-8
    • null|null
      79-20-9
    • null|null
      201230-82-2
    • ~71%
    • In-stock
      Heptane-2,3-dione|CS-0329990
      96-04-8

    References

    • Seyferth, Dietmar; Weinstein, Robert M.; Hui, Richard C.; Wang, Wei-Liang; Archer, Colin M. Journal of Organic Chemistry, 1991 , vol. 56, # 20 p. 5768 - 5773
  • Route3
    • null|null
      50485-73-9
    • ~%
    • In-stock
      Heptane-2,3-dione|CS-0329990
      96-04-8

    References

    • Tetrahedron, , vol. 56, # 35 p. 6541 - 6548

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Warning
UN#: 1224
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.3347
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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