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CS-W001157 4
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1-(3,5-Dimethyladamantan-1-yl)ethan-1-one

  • CAS No. 40430-57-7

  • Cat. No. CS-0264629
  • Purity≥98%
  • MDL No.None

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

1-(3,5-Dimethyladamantan-1-yl)ethan-1-one|CS-0264629

Structure of 40430-57-7

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General Information

  • CAS No. 40430-57-7
  • Cat. No. CS-0264629
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₂O
  • Molecular Weight 206.32
  • Synonym(s) 1-Acetyl-3,5-dimethyl Adamantane
  • SMILES CC(=O)C12CC3CC(C)(CC(C)(C3)C1)C2

Synthesis

  • Route1

    References

    • Tsubo, Tatsuyuki; Chen, Hsiu-Hui; Yokomori, Minako; Fukui, Kosuke; Kikuchi, Satoshi; Yamada, Tohru Chemistry Letters, 2012 , vol. 41, # 8 p. 780 - 782
  • Route2

    References

    • Daicel Chemical Industries, Ltd. Patent: US6429314 B1, 2002 ;
  • Route3

    References

    • Tsubo, Tatsuyuki; Chen, Hsiu-Hui; Yokomori, Minako; Fukui, Kosuke; Kikuchi, Satoshi; Yamada, Tohru Chemistry Letters, 2012 , vol. 41, # 8 p. 780 - 782

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-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P362-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.572
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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