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CS-W001157 4
Total: USD 88.00

1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one

  • CAS No. 59671-45-3

  • Cat. No. CS-0465931
  • Molecule weight198.30
  • Purity≥98%
  • MDL No.None

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

1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one|CS-0465931

Structure of 59671-45-3

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General Information

  • CAS No. 59671-45-3
  • Cat. No. CS-0465931
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₂O₂
  • Molecular Weight 198.30
  • Synonym(s) None
  • SMILES CC(C)(C)C(=O)CC1(CCCCC1)O

Synthesis

  • Route1
    • null|null
      13547-70-1
    • null|null
      108-94-1
    • ~41%
    • null|null
      775-10-0
    • 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one|CS-0465931
      59671-45-3

    References

    • Durandetti, Muriel; Meignein, Clothilde; Perichon, Jacques Organic Letters, 2003 , vol. 5, # 3 p. 317 - 320
  • Route2
    • null|null
      91157-53-8
    • ~87%
    • 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one|CS-0465931
      59671-45-3

    References

    • Curran, Dennis P.; Scanga, Susan A.; Fenk, Christopher J. Journal of Organic Chemistry, 1984 , vol. 49, # 19 p. 3474 - 3478
  • Route3
    • null|null
      75-97-8
    • null|null
      108-94-1
    • ~%
    • 1-(1-Hydroxycyclohexyl)-3,3-dimethylbutan-2-one|CS-0465931
      59671-45-3

    References

    • House,H.O.; Snoble,K.A.J. Journal of Organic Chemistry, 1976 , vol. 41, # 19 p. 3076 - 3083

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   37.3
  • LogP   2.6869
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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