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CS-W001157 4
Total: USD 88.00

3,6-Di-tert-butylcyclohexa-3,5-diene-1,2-dione

  • CAS No. 34105-76-5

  • Cat. No. CS-0365852
  • Molecule weight220.31
  • Purity≥98%
  • MDL No.None

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

3,6-Di-tert-butylcyclohexa-3,5-diene-1,2-dione|CS-0365852

Structure of 34105-76-5

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General Information

  • CAS No. 34105-76-5
  • Cat. No. CS-0365852
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₀O₂
  • Molecular Weight 220.31
  • Synonym(s) 3,5-Cyclohexadiene-1,2-dione, 3,6-bis(1,1-dimethylethyl)-
  • SMILES CC(C)(C)C1=CC=C(C(=O)C1=O)C(C)(C)C

Synthesis

  • Route1
    • 3,6-Di-tert-butylbenzene-1,2-diol|CS-0337073
      15512-06-8
    • ~83%
    • 3,6-Di-tert-butylcyclohexa-3,5-diene-1,2-dione|CS-0365852
      34105-76-5
    • null|null
      23803-85-2
    • null|null
      93378-36-0

    References

    • Bull. Russ. Acad. Sci. Div. Chem. Sci. (Engl. Transl.), , vol. 41, # 6.2 p. 1443 - 1447,1130 - 1133
  • Route2
    • null|null
      20784-84-3
    • ~%
    • 3,6-Di-tert-butylcyclohexa-3,5-diene-1,2-dione|CS-0365852
      34105-76-5

    References

    • Journal of Organic Chemistry, , vol. 48, # 8 p. 1262 - 1266
  • Route3
    • null|null
      1988-75-6
    • ~%
    • 3,6-Di-tert-butylcyclohexa-3,5-diene-1,2-dione|CS-0365852
      34105-76-5

    References

    • Journal of Organic Chemistry, , vol. 48, # 8 p. 1262 - 1266

Safety Information

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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

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   3.0832
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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