4-tert-Butylbenzoic acid

Synonym(s):4-tert-Butylbenzoic acid;PTBBA

CAS NO.：98-73-7
Empirical Formula: C11H14O2
Molecular Weight: 178.23
MDL number: MFCD00002563
EINECS: 202-696-3
SAFETY DATA SHEET (SDS)
Update Date: 2024-08-21 22:41:43

What is 4-tert-Butylbenzoic acid?

Description

4-tert-Butylbenzoic acid is obtained by the liquid-phase air oxidation of 4-tert-butyltoluene (prepared from toluene and isobutylene). It is a modifier for alkyd resins and a polymerization regulator for polyesters. It is also used as an additive in cutting oils and as a corrosion inhibitor. It is hydrogenated to afford the fragrance 4- tert-butylbenzaldehyde.

Chemical properties

white to slightly yellow flakes

The Uses of 4-tert-Butylbenzoic acid

4-tert-Butylbenzoic acid was used as a potent yeast sirtuin (Sir2p) inhibitor.

The Uses of 4-tert-Butylbenzoic acid

Corrosion inhibitor in cooling fluids

Definition

ChEBI: 4-t-Butylbenzoic acid is an alkylbenzene.

General Description

4-tert-Butylbenzoic acid was determined in water samples by means of liquid chromatography-electrospray ionisation mass spectrometry (LC-ESI-MS).

Flammability and Explosibility

Non flammable

Safety Profile

Moderately toxic by ingestion. Experimental reproductive effects. An irritant. Combustible when exposed to heat or flame. Incompatible with oxidzing materials. To fight fire, use foam, CO2, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.

Properties of 4-tert-Butylbenzoic acid

Melting point:	162-165 °C(lit.)
Boiling point:	280°C
Density	1.045 g/cm³ (30°C)
vapor pressure	<0.01 hPa (20 °C)
refractive index	1.5201 (estimate)
Flash point:	180 °C
storage temp.	Store below +30°C.
solubility	12.6g/l
pka	4.38(at 25℃)
form	Solid
color	White to Off-White
PH	3.9 (H2O, 20℃)(saturated solution)
Water Solubility	0.07 g/L (20 ºC)
BRN	607545
CAS DataBase Reference	98-73-7(CAS DataBase Reference)
NIST Chemistry Reference	Benzoic acid, p-tert-butyl-(98-73-7)
EPA Substance Registry System	p-tert-Butylbenzoic acid (98-73-7)

Safety information for 4-tert-Butylbenzoic acid

Signal word	Danger
Pictogram(s)	Exclamation Mark Irritant GHS07 Health Hazard GHS08
GHS Hazard Statements	H302:Acute toxicity,oral H372:Specific target organ toxicity, repeated exposure H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes	P202:Do not handle until all safety precautions have been read and understood. P260:Do not breathe dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P273:Avoid release to the environment. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P308+P313:IF exposed or concerned: Get medical advice/attention.