8.20238

4-tert-Butylbenzoic acid

for synthesis

• Synonym(s): 4-tert-Butylbenzoic acid, PTBBA
• Linear Formula: 4-[(CH₃)₃C]C₆H₄COOH
• CAS Number: 98-73-7
• Molecular Weight: 178.23
• MDL number: MFCD00002563
• UNSPSC Code: 12352106
• EC Index Number: 202-696-3
• NACRES: NA.22

Properties

• vapor pressure: <0.01 hPa ( 20 °C)
• Quality Level: 200
• assay: ≥99.0% (acidimetric)
• form: solid
• autoignition temp.: >510 °C
• potency: 473-735 mg/kg LD₅₀, oral (Rat)
• pH: 3.9 (20 °C in H₂O, saturated solution)
• mp: 165-167 °C
• density: 0.6 g/cm³ at 20 °C
• bulk density: 340 kg/m³
• storage temp.: 2-30°C
• InChI: 1S/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
• InChI key: KDVYCTOWXSLNNI-UHFFFAOYSA-N

Description

Analysis Note

Assay (acidimetric): ≥ 99.0 %
Melting range (lower value): ≥ 165 °C
Melting range (upper value): ≤ 167 °C
Identity (IR): passes test

Safety Information

• pictograms: GHS07,GHS08
• signalword: Danger
• hcodes: H302 - H360F - H372 - H412
• pcodes: P202 - P260 - P264 - P273 - P301 + P312 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Oral - Aquatic Chronic 3 - Repr. 1B - STOT RE 1
• Storage Class: 6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• wgk_germany: WGK 3