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CS-W001157 4
Total: USD 88.00

Levulinic acid

  • CAS No. 123-76-2

  • Cat. No. CS-0015813
  • Purity≥97%
  • MDL No.MFCD00002796

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

Levulinic acid|CS-0015813

Structure of 123-76-2

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General Information

  • CAS No. 123-76-2
  • Cat. No. CS-0015813
  • Purity ≥97%
  • MDL No. MFCD00002796
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈O₃
  • Molecular Weight 116.12
  • Synonym(s) 4-Oxovaleric acid
  • SMILES CC(CCC(O)=O)=O

Description

.

Synthesis

  • Route1
    • null|null
      9004-34-6
    • ~33%
    • In-stock
      Levulinic acid|CS-0015813
      123-76-2

    References

    • Du, Xian-Long; He, Lin; Zhao, She; Liu, Yong-Mei; Cao, Yong; He, He-Yong; Fan, Kang-Nian Angewandte Chemie - International Edition, 2011 , vol. 50, # 34 p. 7815 - 7819
  • Route2
    • (2R,3S,4R,5R)-2,3,4,5,6-Pentahydroxyhexanal|CS-1185051
      50-99-7
    • ~57%
    • In-stock
      Levulinic acid|CS-0015813
      123-76-2

    References

    • Deng, Li; Li, Jiang; Lai, Da-Ming; Fu, Yao; Guo, Qing-Xiang Angewandte Chemie, International Edition, 2009 , vol. 48, # 35 p. 6529 - 6532 Angewandte Chemie, 2009 , vol. 121, # 35 p. 6651 - 6654
  • Route3
    • 5-Hydroxymethylfurfural, ≥99%|CS-1268396
      67-47-0
    • ~91%
    • In-stock
      Levulinic acid|CS-0015813
      123-76-2

    References

    • Dumesic, James; Alonso, David; Bond, Jesse; Root, Thatcher; Chia, Mei Patent: US2012/302765 A1, 2012 ; Location in patent: Page/Page column 16 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H317-H318
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   54.37
  • LogP   0.4402
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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