4-tert-Butylbenzoic acid (98-73-7)

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Suppliers

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  25 g
  $17.00

  250 g
  $21.00

Most-cited Publications

• The crystal structure of the inclusion complex of cyclomaltoheptaose (-cyclodextrin) with 4-tert-butylbenzoic acid (Carbohydrate Research, 1994)
• On the nature of the hostguest interaction between cyclam and 4-tert-butylbenzoic acida system pre-assembled for metal complex formation (Journal of The Chemical Society, Chemical Communications, 1994)
• Self-assembly directed by NHO hydrogen bonding: New layered molecular arrays derived from 4-tert- butylbenzoic acid and aliphatic diamines (Proceedings of the National Academy of Sciences of the United States of America, 2002)
• Luminescence properties of polymers containing europium complexes with 4-tert-butylbenzoic acid (Journal of Rare Earths, 2013)
• Hydrazide-hydrazones of 3-methoxybenzoic acid and 4-tert-butylbenzoic acid with promising antibacterial activity against Bacillus spp. (Journal of Enzyme Inhibition and Medicinal Chemistry, 2016)
• Structure of host-guest assemblies involving interaction of cyclen with diphenylphosphinic and 4-tert-butylbenzoic acid (Journal of Molecular Structure, 2007)

Safety

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  Predict GHS Hazards for Any Chemical in silico.
  Including Acute Oral Tox, Skin Sensitization, Eye Irritation, Aquatic Tox, & more.
• H302: Harmful if swallowed
  Warning Acute toxicity, oral - Category 4
• H360: May damage fertility or the unborn child
  Danger Reproductive toxicity - Category 1A, 1B
• H372: Causes damage to organs through prolonged or repeated exposure
  Danger Specific target organ toxicity, repeated exposure - Category 1

Trends

Alternate Names

• 4-tert-butylbenzoic acid, sodium salt
• 4-tert-butylbenzoic acid, barium salt
• 4-tert-butylbenzoic acid, aluminum salt
• 4-tert-butylbenzoic acid, magnesium salt
• 4-tert-butylbenzoic acid, zinc salt
• para-tert-butylbenzoic acid
• 4-tert-butylbenzoic acid, calcium salt
• 4-tert-butylbenzoic acid, potassium salt
• SMILES
  CC(C)(C)C1=CC=C(C=C1)C(=O)O
• InChIKey
  KDVYCTOWXSLNNI-UHFFFAOYSA-N

External Links

• Pubchem - 4-tert-Butylbenzoic acid
• Wikipedia - 4-tert-butylbenzoic acid
  para-tert-Butylbenzoic acid (PTBBA) is an organic compound . A substituted benzoic acid, it is used in alkyd resins. This compound is produced by oxidizing para-tert-butyltoluene with air.

Synthesis

benzoic acid  +  2-Chloro-2-methylpropane (Friedel-Crafts alkylation)

Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)

Synthesis of 4-tert-Butylbenzoic acid ›

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4-tert-Butylbenzoic acid

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