8.20238
4-tert-Butylbenzoic acid
for synthesis
Synonym(s):
4-tert-Butylbenzoic acid, PTBBA
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About This Item
vapor pressure
<0.01 hPa ( 20 °C)
Quality Segment
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
SMILES string
OC(=O)c1ccc(cc1)C(C)(C)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
Analysis Note
Melting range (lower value): ≥ 165 °C
Melting range (upper value): ≤ 167 °C
Identity (IR): passes test
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Danger
hcodes
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
WGK 3
Regulatory Listings
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Substances Subject to be Indicated Names
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Substances Subject to be Notified Names
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Certificates of Analysis (COA)
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