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CS-W001157 4
Total: USD 88.00

6,6-Dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-one

  • CAS No. 76230-27-8

  • Cat. No. CS-0259420
  • Molecule weight164.20
  • Purity95+%
  • MDL No.None

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

6,6-Dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-one|CS-0259420

Structure of 76230-27-8

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General Information

  • CAS No. 76230-27-8
  • Cat. No. CS-0259420
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂
  • Molecular Weight 164.20
  • Synonym(s) 6,6-dimethyl-6,7-dihydro-1-benzofuran-4(5H)-one
  • SMILES CC1(C)CC(=O)C2=C(C1)OC=C2

Synthesis

  • Route1
    • null|null
      164531-74-2
    • ~88%
    • 6,6-Dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-one|CS-0259420
      76230-27-8

    References

    • Xia, Likai; Lee, Yong Rok; Kim, Sung Hong; Lyoo, Won Seok Bulletin of the Korean Chemical Society, 2011 , vol. 32, # 5 p. 1554 - 1558
  • Route2
    • null|null
      107-20-0
    • null|null
      3471-13-4
    • ~30%
    • 6,6-Dimethyl-4,5,6,7-tetrahydro-1-benzofuran-4-one|CS-0259420
      76230-27-8

    References

    • Tochtermann, Werner; Koehn, Heinke Chemische Berichte, 1980 , vol. 113, # 10 p. 3249 - 3261
  • Route3

    References

    • Lee Yong Rok, R.; Kim, Nam Suk; Kim, Byung So Tetrahedron Letters, 1997 , vol. 38, # 32 p. 5671 - 5674

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   30.21
  • LogP   2.4347
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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