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CS-W001157 4
Total: USD 88.00

1,4-Dioxepan-6-one

  • CAS No. 28544-93-6

  • Cat. No. CS-0478025
  • Purity≥98%
  • MDL No.MFCD11865273

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

1,4-Dioxepan-6-one|CS-0478025

Structure of 28544-93-6

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General Information

  • CAS No. 28544-93-6
  • Cat. No. CS-0478025
  • Purity ≥98%
  • MDL No. MFCD11865273
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈O₃
  • Molecular Weight 116.12
  • Synonym(s) [1,4]Dioxepan-6-one
  • SMILES O=C1COCCOC1

Synthesis

  • Route1
    • null|null
      88664-38-4
    • ~61%
    • 1,4-Dioxepan-6-one|CS-0478025
      28544-93-6

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: US2012/196872 A1, 2012 ; Location in patent: Page/Page column 38 ;
  • Route2
    • null|null
      65652-63-3
    • ~%
    • 1,4-Dioxepan-6-one|CS-0478025
      28544-93-6

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: US2012/196872 A1, 2012 ;

Safety Information

Download SDS
GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   -0.3977
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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