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CS-W001157 4
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2-Methyl-4-phenoxybutan-2-ol

  • CAS No. 87077-92-7

  • Cat. No. CS-0278195
  • Purity≥98%
  • MDL No.None

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

2-Methyl-4-phenoxybutan-2-ol|CS-0278195

Structure of 87077-92-7

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General Information

  • CAS No. 87077-92-7
  • Cat. No. CS-0278195
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₆O₂
  • Molecular Weight 180.24
  • Synonym(s) 2-Butanol, 2-methyl-4-phenoxy-
  • SMILES CC(O)(C)CCOC1=CC=CC=C1

Synthesis

  • Route1
    • Methyl 3-phenoxypropanoate|CS-0580180
      7497-89-4
    • null|null
      676-58-4
    • ~77%
    • 2-Methyl-4-phenoxybutan-2-ol|CS-0278195
      87077-92-7

    References

    • Waugh, Kristy M.; Berlin, K. Darrell; Ford, Warren T.; Holt, Elizabeth M.; Carrol, John P.; et al. Journal of Medicinal Chemistry, 1985 , vol. 28, # 1 p. 116 - 124
  • Route2
    • Methyl 3-phenoxypropanoate|CS-0580180
      7497-89-4
    • ~%
    • 2-Methyl-4-phenoxybutan-2-ol|CS-0278195
      87077-92-7

    References

    • AMGEN INC. Patent: WO2008/30520 A1, 2008 ; Location in patent: Page/Page column 158 ; WO 2008/030520 A1
  • Route3

    References

    • Waugh, Kristy M.; Berlin, K. Darrell; Ford, Warren T.; Holt, Elizabeth M.; Carrol, John P.; et al. Journal of Medicinal Chemistry, 1985 , vol. 28, # 1 p. 116 - 124

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
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UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   29.46
  • LogP   2.2264
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   4

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