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CS-W001157 4
Total: USD 88.00

2,3-Pentanedione

  • CAS No. 600-14-6

  • Cat. No. CS-W013714
  • Purity≥97%
  • MDL No.MFCD00009313

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

2,3-Pentanedione|CS-W013714

Structure of 600-14-6

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General Information

  • CAS No. 600-14-6
  • Cat. No. CS-W013714
  • Purity ≥97%
  • MDL No. MFCD00009313
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈O₂
  • Molecular Weight 100.12
  • Synonym(s) None
  • SMILES CC(C(CC)=O)=O

Description

2,3-Pentanedione (acetylpropionyl) is one of the aroma active compounds of cereal coffee brew.2,3-Pentanedione can be used as a reactant to synthesize: Bisphenol derivatives by acid-catalyzed condensation reaction with phenols. 2-Ethyl-3-methyl-1H-indole by Pd-catalyzed reaction with aniline under reductive conditions.2-Ethyl-3-methylquinoxaline by condensation reaction with o-phenylenediamine using citric acid as a catalyst.

Synthesis

  • Route1
    • null|null
      123-38-6
    • ~56%
    • In-stock
      2,3-Pentanedione|CS-W013714
      600-14-6
    • Hexane-3,4-dione, ≥95%|CS-1268367
      4437-51-8

    References

    • Journal of Organic Chemistry, , vol. 58, # 20 p. 5518 - 5523
  • Route2
    • null|null
      849585-22-4
    • ~%
    • In-stock
      2,3-Pentanedione|CS-W013714
      600-14-6
    • null|null
      75-07-0
    • null|null
      802294-64-0
    • null|null
      79-10-7

    References

    • Catalysis Communications, , vol. 48, p. 5 - 10
  • Route3
    • null|null
      75-18-3
    • null|null
      81609-25-8
    • ~18%
    • In-stock
      2,3-Pentanedione|CS-W013714
      600-14-6

    References

    • Glufke, Uta; Hanselmann, Paul Patent: US2003/171622 A1, 2003 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02,GHS05,GHS07
Signal Word : Danger
UN#: 1224
Class : 3
Packing Group : Ⅱ
Hazard Statements : H225-H302-H315-H317-H318
Precautionary Statements : P210-P233-P240-P241-P242-P243-P264-P270-P280-P302+P352-P303+P361+P353-P305+P351+P338-P330-P332+P313-P362+P364-P370+P378-P403+P235-P501-P261-P272-P333+P313

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   0.5545
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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