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Key Documents

8.20238

Sigma-Aldrich

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:
Molecular Weight:
178.23
MDL number:
UNSPSC Code:
12352106
EC Index Number:
202-696-3
NACRES:
NA.22

vapor pressure

<0.01 hPa ( 20 °C)

Quality Level

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

Related Categories

Analysis Note

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

Pictograms

Exclamation markHealth hazard

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 3 - Repr. 1B - STOT RE 1

Storage Class Code

6.1C - Combustible, acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3


Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

EU REACH Annex XVII (Restriction List)

CAS No.

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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