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8.20238

4-tert-Butylbenzoic acid

for synthesis

Synonym(s):

4-tert-Butylbenzoic acid, PTBBA

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About This Item

Linear Formula:
4-[(CH3)3C]C6H4COOH
CAS Number:
98-73-7
Molecular Weight:
178.23
UNSPSC Code:
12352106
EC Index Number:
202-696-3
NACRES:
NA.22
MDL number:
MFCD00002563
Assay:
≥99.0% (acidimetric)
Form:
solid
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vapor pressure

<0.01 hPa ( 20 °C)

Quality Segment

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

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

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

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pictograms

Exclamation markHealth hazard
GHS07,GHS08

signalword

Danger

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

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