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CS-W001157 4
Total: USD 88.00

Dehydroacetic acid

  • CAS No. 520-45-6

  • Cat. No. CS-4810
  • Purity≥98%
  • MDL No.MFCD00066709

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

Dehydroacetic acid|CS-4810

Structure of 520-45-6

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General Information

  • CAS No. 520-45-6
  • Cat. No. CS-4810
  • Purity ≥98%
  • MDL No. MFCD00066709
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₄
  • Molecular Weight 168.15
  • Synonym(s) Biocide 470F
  • SMILES O=C1C(C(C)=O)C(C=C(C)O1)=O

Description

Dehydroacetic acid is one of the food additives found in red wine and was determined by ultra-fast liquid chromatography-tandem quadrupole mass spectrometry (UFLC-MS/MS).

Synthesis

  • Route1

    References

    • Freiermuth, Beat; Wentrup, Curt Journal of Organic Chemistry, 1991 , vol. 56, # 7 p. 2286 - 2289
  • Route2
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      93279-40-4
    • ~78%
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      54509-73-8
    • In-stock
      Dehydroacetic acid|CS-4810
      520-45-6

    References

    • Hyatt, John A.; Feldman, Paul L.; Clemens, Robert J. Journal of Organic Chemistry, 1984 , vol. 49, # 26 p. 5105 - 5108
  • Route3

    References

    • Arndt et al. Chemische Berichte, 1936 , vol. 69, p. 2373,2380 Full Text Show Details Miyaki et al. Yakugaku Zasshi, 1953 , vol. 73, p. 985 Chem.Abstr., 1954 , p. 11402

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
Precautionary Statements : P264-P270-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.44
  • LogP   0.2213
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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