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CS-W001157 4
Total: USD 88.00

4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one

  • CAS No. 80-57-9

  • Cat. No. CS-0280756
  • Molecule weight150.22
  • Purity≥98%
  • MDL No.None

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

4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one|CS-0280756

Structure of 80-57-9

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General Information

  • CAS No. 80-57-9
  • Cat. No. CS-0280756
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄O
  • Molecular Weight 150.22
  • Synonym(s) Verbenone
  • SMILES CC1=CC(=O)C2CC1C2(C)C

Synthesis

  • Route1
    • null|null
      80-56-8
    • ~77%
    • 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one|CS-0280756
      80-57-9

    References

    • Lajunen, Marja; Koskinen, Ari M. P. Tetrahedron Letters, 1994 , vol. 35, # 25 p. 4461 - 4464
  • Route2
    • null|null
      80-56-8
    • ~%
    • 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one|CS-0280756
      80-57-9
    • null|null
      1197-07-5
    • null|null
      4501-58-0
    • null|null
      1820-09-3
    • α-Pinene oxide|CS-0188178
      1686-14-2

    References

    • Journal of Molecular Catalysis A: Chemical, , vol. 363-364, p. 328 - 334,7
  • Route3
    • null|null
      80-56-8
    • ~%
    • 4,6,6-Trimethylbicyclo[3.1.1]hept-3-en-2-one|CS-0280756
      80-57-9
    • null|null
      1820-09-3
    • null|null
      94268-68-5
    • null|null
      4606-17-1
    • α-Pinene oxide|CS-0188178
      1686-14-2

    References

    • Journal of Catalysis, , vol. 298, p. 61 - 69

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H317-H319-H335
Precautionary Statements : P261-P264-P270-P271-P272-P280-P302+P352-P304+P340-P305+P351+P338-P330-P363-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.1777
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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