Detalhes essenciais
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Introdução do Produto
1. Basic Identification Information
| Parameter | English Specification/Value |
|---|---|
| IUPAC Name | 4-(Tert-butyl)benzoic acid (also: p-Tert-butylbenzoic acid) |
| Common Name(s) | 4-Tert-Butylbenzoic acid; PTBBA; p-Tert-Butylbenzoic acid; Benzoic acid, 4-(1,1-dimethylethyl)-; TBB Acid |
| CAS Registry Number | 98-73-7 |
| EC/EINECS Number | 202-696-3 |
| Molecular Formula | C₁₁H₁₄O₂ |
| Molecular Weight | 178.23 g/mol |
| Chemical Class | Aromatic carboxylic acid; tert-butyl-substituted benzoic acid derivative; plastic additive; organic synthesis intermediate |
| Related Compound | Benzoic acid (CAS 65-85-0) (parent compound without tert-butyl group; higher solubility but lower thermal stability); 4-Tert-butylbenzoic acid methyl ester (CAS 94-63-1) (ester derivative, plasticizer); Salicylic acid (CAS 69-72-7) (ortho-hydroxybenzoic acid, keratolytic properties) |
2. Physicochemical Properties
| Property Category | Specific Parameter | Specification/Value |
|---|---|---|
| Structural Features | Functional Groups | Carboxyl group (-COOH) at C1; tert-butyl group (-C(CH₃)₃) at C4 (para-substitution; bulky alkyl group reduces intermolecular hydrogen bonding and increases lipophilicity; pKa ≈ 4.46 for -COOH) |
| Physical Appearance | State & Color | White to off-white crystalline powder; odorless; bitter taste (taste threshold: 0.1 g/L) |
| Melting Point | 162–165 °C (lit.; pure grade) | |
| Boiling Point | Decomposes before boiling (decomposes above 300 °C to form tert-butylbenzene and CO₂) | |
| Density (25 °C) | 1.03 g/cm³ (crystalline form) |
