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CS-W001157 4
Total: USD 88.00

1-Ethynyl-4-(2-methylpropyl)benzene

  • CAS No. 132464-91-6

  • Cat. No. CS-0237505
  • Molecule weight158.24
  • Purity≥98%
  • MDL No.None

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

1-Ethynyl-4-(2-methylpropyl)benzene|CS-0237505

Structure of 132464-91-6

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General Information

  • CAS No. 132464-91-6
  • Cat. No. CS-0237505
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₄
  • Molecular Weight 158.24
  • Synonym(s) p-isobutylphenylacetonitrile
  • SMILES CC(C)CC1=CC=C(C#C)C=C1

Synthesis

  • Route1
    • null|null
      142521-09-3
    • ~%
    • 1-Ethynyl-4-(2-methylpropyl)benzene|CS-0237505
      132464-91-6

    References

    • JAPAN TOBACCO INC. Patent: US2012/322837 A1, 2012 ; Location in patent: Page/Page column 108 ; US 20120322837 A1
  • Route2
    • 4'-Isobutylacetophenone Ibuprofen Impurity|CS-0228883
      38861-78-8
    • ~%
    • 1-Ethynyl-4-(2-methylpropyl)benzene|CS-0237505
      132464-91-6

    References

    • Kotha; Tafesh; Davenport; Ortiz Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2001 , vol. 40, # 12 p. 1166 - 1169
  • Route3
    • 4-Isobutylbenzaldehyde|CS-0134075
      40150-98-9
    • ~%
    • 1-Ethynyl-4-(2-methylpropyl)benzene|CS-0237505
      132464-91-6

    References

    • JAPAN TOBACCO INC. Patent: US2012/322837 A1, 2012 ; US 20120322837 A1

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   2.8664
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   2

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