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CS-W001157 4
Total: USD 88.00

(3-Methylpentan-3-yl)benzene

  • CAS No. 1985-97-3

  • Cat. No. CS-0469279
  • Molecule weight162.27
  • Purity≥98%
  • MDL No.None

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

(3-Methylpentan-3-yl)benzene|CS-0469279

Structure of 1985-97-3

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General Information

  • CAS No. 1985-97-3
  • Cat. No. CS-0469279
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈
  • Molecular Weight 162.27
  • Synonym(s) methyl-3 phenyl-3 pentane
  • SMILES CCC(C1=CC=CC=C1)(CC)C

Synthesis

  • Route1
    • null|null
      54509-73-8
    • null|null
      135-98-8
    • ~%
    • (3-Methylpentan-3-yl)benzene|CS-0469279
      1985-97-3

    References

    • Pines et al. Journal of the American Chemical Society, 1955 , vol. 77, p. 554,555
  • Route2
    • null|null
      77-74-7
    • null|null
      71-43-2
    • ~%
    • (3-Methylpentan-3-yl)benzene|CS-0469279
      1985-97-3

    References

    • Huston; Smith Journal of Organic Chemistry, 1950 , vol. 15, p. 1074,1076
  • Route3
    • null|null
      563-80-4
    • null|null
      2747-38-8
    • ~60%
    • (3-Methylpentan-3-yl)benzene|CS-0469279
      1985-97-3

    References

    • Reetz, Manfred T.; Westermann, Juergen; Steinbach, Rainer Angewandte Chemie, 1980 , vol. 92, # 11 p. 933 - 934

Safety Information

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

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.7643
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   3

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