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CS-W001157 4
Total: USD 88.00

1,3-Di-tert-butylbenzene

  • CAS No. 1014-60-4

  • Cat. No. CS-0154912
  • Purity≥98%
  • MDL No.MFCD00008830

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

1,3-Di-tert-butylbenzene|CS-0154912

Structure of 1014-60-4

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General Information

  • CAS No. 1014-60-4
  • Cat. No. CS-0154912
  • Purity ≥98%
  • MDL No. MFCD00008830
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₂
  • Molecular Weight 190.32
  • Synonym(s) Benzene, 1,3-bis(1,1-dimethylethyl)-
  • SMILES CC(C)(C)C1=CC(=CC=C1)C(C)(C)C

Description

1,3-Di-tert-butylbenzene features two bulky tert-butyl groups positioned at the 1 and 3 ring positions, creating a sterically shielded aromatic scaffold. This configuration imparts exceptional stability and resistance to oxidation, making it ideal for use in hindered aromatic systems. The molecule’s high steric bulk facilitates its role in constructing tailored ligands and functional materials where spatial control is critical.

Synthesis

  • Route1

    References

    • Komen, Corine M.D.; Bickelhaupt, Friedrich Synthetic Communications, 1996 , vol. 26, # 9 p. 1693 - 1697
  • Route2
    • null|null
      93131-76-1
    • ~84%
    • In-stock
      1,3-Di-tert-butylbenzene|CS-0154912
      1014-60-4

    References

    • Subramanian, L. R.; Martinez, A. Garcia; Fernandez A. Herrera; Alvarez, R. Martinez Synthesis, 1984 , # 6 p. 481 - 485
  • Route3
    • null|null
      1071592-55-6
    • ~%
    • In-stock
      1,3-Di-tert-butylbenzene|CS-0154912
      1014-60-4

    References

    • US2011/230694 A1, ; Page/Page column 6 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   0
  • LogP   4.2816
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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