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CS-W001157 4
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2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one

  • CAS No. 4883-60-7

  • Cat. No. CS-0153634
  • Molecule weight154.21
  • Purity≥98%
  • MDL No.MFCD02181023

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

2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one|CS-0153634

Structure of 4883-60-7

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General Information

  • CAS No. 4883-60-7
  • Cat. No. CS-0153634
  • Purity ≥98%
  • MDL No. MFCD02181023
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₂
  • Molecular Weight 154.21
  • Synonym(s) 3,5,5-Trimethyl-1,2-cyclohexanedione
  • SMILES CC1=C(C(=O)CC(C)(C)C1)O

Synthesis

  • Route1

    References

    • Zhu, Rui; Xing, Lixin; Wang, Xinyan; Cheng, Chuanjie; Liu, Bo; Hu, Yuefei Synlett, 2007 , # 14 p. 2267 - 2271
  • Route2
    • 3,3,5-Trimethylcyclohexanone|CS-0070744
      873-94-9
    • ~62%
    • In-stock
      2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one|CS-0153634
      4883-60-7

    References

    • Horiuchi, C. Akira; Kiyomiya, Hiroshi; Takahashi, Masaaki; Suzuki, Yasuto Synthesis, 1989 , # 10 p. 785 - 786
  • Route3
    • In-stock
      Isophorone oxide|CS-0204566
      10276-21-8
    • ~72%
    • 2,4,4-Trimethylcyclopentan-1-one|CS-0214582
      4694-12-6
    • 3,4,5-Trimethylphenol|CS-0365811
      527-54-8
    • In-stock
      2-Hydroxy-3,5,5-trimethyl-2-cyclohexen-1-one|CS-0153634
      4883-60-7

    References

    • Buyck, Laurent de; Zi-Peng, Yao; Verhe, Roland; Kimpe, De Norbert; Schamp, Niceas Bulletin des Societes Chimiques Belges, 1985 , vol. 94, # 1 p. 75 - 80

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362+P364

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.2075
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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