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CS-W001157 4
Total: USD 88.00

4-(tert-Butyl)benzoic acid

  • CAS No. 98-73-7

  • Cat. No. CS-W017327
  • Purity≥98%
  • MDL No.MFCD00002563

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

4-(tert-Butyl)benzoic acid|CS-W017327

Structure of 98-73-7

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General Information

  • CAS No. 98-73-7
  • Cat. No. CS-W017327
  • Purity ≥98%
  • MDL No. MFCD00002563
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₄O₂
  • Molecular Weight 178.23
  • Synonym(s) Para-tert butyl benzoic acid
  • SMILES C1=CC(=CC=C1C(C)(C)C)C(O)=O

Description

4-tert-Butylbenzoic acid was determined in water samples by means of liquid chromatography-electrospray ionisation mass spectrometry (LC-ESI-MS).4-tert-Butylbenzoic acid was used as a potent yeast sirtuin (Sir2p) inhibitor.

Application

4-(tert-Butyl)benzoic acid serves as a versatile building block in medicinal chemistry and materials science, offering enhanced lipophilicity and steric bulk due to the tert-butyl group. Its carboxylic acid functionality enables straightforward derivatization via amide, ester, or acyl chloride formation, facilitating incorporation into drug candidates and functional polymers. The compound exhibits excellent bench stability, minimal side reactivity, and is readily purified by recrystallization, making it ideal for scalable synthesis and high-throughput screening applications.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H332-H311
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.6823
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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