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CS-W001157 4
Total: USD 88.00

8-Ethynyl-1,4-dioxaspiro[4.5]decan-8-ol

  • CAS No. 70097-74-4

  • Cat. No. CS-0266200
  • Molecule weight182.22
  • Purity≥98%
  • MDL No.None

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

8-Ethynyl-1,4-dioxaspiro[4.5]decan-8-ol|CS-0266200

Structure of 70097-74-4

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General Information

  • CAS No. 70097-74-4
  • Cat. No. CS-0266200
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄O₃
  • Molecular Weight 182.22
  • Synonym(s) InChI=1/C10H14O3/c1-2-9(11)3-5-10(6-4-9)12-7-8-13-10/h1,11H,3-8H2
  • SMILES C#CC1(O)CCC2(CC1)OCCO2

Synthesis

  • Route1

    References

    • Toray Industries, Inc.; NAKAO, Kaoru; MIYAMOTO, Yohei; YAMADA, Naohiro Patent: EP2565184 A1, 2013 ; Location in patent: Paragraph 0334-0336 ;
  • Route2

    References

    • Pouwer, Rebecca H.; Schill, Heiko; Williams, Craig M.; Bernhardt, Paul V. European Journal of Organic Chemistry, 2007 , # 28 p. 4699 - 4705
  • Route3

    References

    • Hiller, Christine; Kling, Ralf C.; Heinemann, Frank W.; Meyer, Karsten; Huebner, Harald; Gmeiner, Peter Journal of Medicinal Chemistry, 2013 , vol. 56, # 12 p. 5130 - 5141

Safety Information

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GHS Pictogram : N/A
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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   38.69
  • LogP   0.6678
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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