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CS-W001157 4
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2,6-Di-tert-butyl-4-ethylidenecyclohexa-2,5-dien-1-one

  • CAS No. 6738-27-8

  • Cat. No. CS-0524367
  • Purity≥98%
  • MDL No.None

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

2,6-Di-tert-butyl-4-ethylidenecyclohexa-2,5-dien-1-one|CS-0524367

Structure of 6738-27-8

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General Information

  • CAS No. 6738-27-8
  • Cat. No. CS-0524367
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₄O
  • Molecular Weight 232.36
  • Synonym(s) 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4-ethylidene-
  • SMILES CC=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1

Synthesis

  • Route1
    • null|null
      4130-42-1
    • ~%
    • 2,6-Di-tert-butyl-4-ethylidenecyclohexa-2,5-dien-1-one|CS-0524367
      6738-27-8

    References

    • Cook; Norcross Journal of the American Chemical Society, 1959 , vol. 81, p. 1176,1178
  • Route2
    • null|null
      13325-48-9
    • ~%
    • null|null
      4130-42-1
    • 2,6-Di-tert-butyl-4-ethylidenecyclohexa-2,5-dien-1-one|CS-0524367
      6738-27-8

    References

    • Roginskii, V. A. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1985 , vol. 34, p. 1833 - 1841 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1985 , # 9 p. 1987 - 1996

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS06
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H301-H314-H330
Precautionary Statements : P260-P280-P284

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   4.4604
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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