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CS-W001157 4
Total: USD 88.00

3,3,5-Trimethylcyclohexanone

  • CAS No. 873-94-9

  • Cat. No. CS-0070744
  • Purity≥98%
  • MDL No.MFCD00019466

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

3,3,5-Trimethylcyclohexanone|CS-0070744

Structure of 873-94-9

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General Information

  • CAS No. 873-94-9
  • Cat. No. CS-0070744
  • Purity ≥98%
  • MDL No. MFCD00019466
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₆O
  • Molecular Weight None
  • Synonym(s) Dihydro-isophorone
  • SMILES O=C1CC(C)(C)CC(C)C1

Synthesis

  • Route1

    References

    • Mhadgut, Shilpa C.; Palaniappan, Kumaranand; Thimmaiah, Muralidhara; Hackney, Stephen A.; Toeroek, Bela; Liu, Jian Chemical Communications, 2005 , # 25 p. 3207 - 3209
  • Route2

    References

    • Maruoka, Keiji; Itoh, Takayuki; Sakurai, Minoru; Nonoshita, Katsumasa; Yamamoto, Hisashi Journal of the American Chemical Society, 1988 , vol. 110, p. 3588 - 3597
  • Route3

    References

    • Fort, Y; Vanderesse, R; Caubere, P Tetrahedron Letters, 1986 , vol. 27, # 45 p. 5487 - 5490

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H227-H315-H318-H335
Precautionary Statements : P210-P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P370+P378-P403-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   2.4017
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   0

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