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CS-W001157 4
Total: USD 88.00

Butane-1,3-diyl diacetate

  • CAS No. 1117-31-3

  • Cat. No. CS-0154045
  • Purity≥95%
  • MDL No.MFCD00008710

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

Butane-1,3-diyl diacetate|CS-0154045

Structure of 1117-31-3

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General Information

  • CAS No. 1117-31-3
  • Cat. No. CS-0154045
  • Purity ≥95%
  • MDL No. MFCD00008710
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₄
  • Molecular Weight 174.19
  • Synonym(s) 1,3-Butanediol diacetate
  • SMILES CC(CCOC(=O)C)OC(=O)C

Synthesis

  • Route1
    • null|null
      18826-95-4
    • null|null
      108-24-7
    • ~99%
    • Butane-1,3-diyl diacetate|CS-0154045
      1117-31-3

    References

    • Martinez-Pascual, Roxana; Vinas-Bravo, Omar; Meza-Reyes, Socorro; Iglesias-Arteaga, Martin A.; Sandoval-Ramirez, Jesus Synthetic Communications, 2004 , vol. 34, # 24 p. 4591 - 4596
  • Route2
    • null|null
      18826-95-4
    • null|null
      108-24-7
    • ~%
    • 3-Hydroxybutyl acetate|CS-1229974
      1851-86-1
    • Butane-1,3-diyl diacetate|CS-0154045
      1117-31-3
    • null|null
      75355-65-6

    References

    • Zhu, Peter C.; Lin, Jinyan; Pittman, Charles U. Journal of Organic Chemistry, 1995 , vol. 60, # 17 p. 5729 - 5731
  • Route3
    • null|null
      18826-95-4
    • null|null
      75-36-5
    • ~0%
    • 3-Hydroxybutyl acetate|CS-1229974
      1851-86-1
    • Butane-1,3-diyl diacetate|CS-0154045
      1117-31-3

    References

    • Ishihara, Kazuaki; Kurihara, Hideki; Yamamoto, Hisashi Journal of Organic Chemistry, 1993 , vol. 58, # 15 p. 3791 - 3793

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   0.8912
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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