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CS-W001157 4
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5-(Tert-butyl)-2-methylbenzaldehyde

  • CAS No. 66949-23-3

  • Cat. No. CS-0196216
  • Molecule weight176.25
  • Purity≥98%
  • MDL No.None

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

5-(Tert-butyl)-2-methylbenzaldehyde|CS-0196216

Structure of 66949-23-3

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General Information

  • CAS No. 66949-23-3
  • Cat. No. CS-0196216
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆O
  • Molecular Weight 176.25
  • Synonym(s) Benzaldehyde, 5-(1,1-dimethylethyl)-2-methyl-
  • SMILES O=CC1=CC(C(C)(C)C)=CC=C1C

Synthesis

  • Route1

    References

    • Mallory, Frank B; Butler, Kelly E; Berube, Amelie; Luzik Jr., Eddie D; Mallory, Clelia W; Brondyke, Emilie J; Hiremath, Rupa; Ngo, Phung; Carroll, Patrick J Tetrahedron, 2001 , vol. 57, # 17 p. 3715 - 3724
  • Route2

    References

    • Mallory, Frank B; Butler, Kelly E; Berube, Amelie; Luzik Jr., Eddie D; Mallory, Clelia W; Brondyke, Emilie J; Hiremath, Rupa; Ngo, Phung; Carroll, Patrick J Tetrahedron, 2001 , vol. 57, # 17 p. 3715 - 3724
  • Route3
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      100-97-0
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      23203-13-6
    • ~%
    • 5-(Tert-butyl)-2-methylbenzaldehyde|CS-0196216
      66949-23-3

    References

    • Carpenter; Easter Journal of Organic Chemistry, 1954 , vol. 19, p. 77,83

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

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Computational Chemistry Data

  • TPSA   17.07
  • LogP   3.10502
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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