4-tert-Butylbenzoic acid Chemical Properties

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

InChIKey

KDVYCTOWXSLNNI-UHFFFAOYSA-N

LogP

3.4 at 21℃

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

Hazard Codes 

Xn,N,T

Risk Statements 

20/22-62-51/53-48/20/21/22-24

Safety Statements 

22-24/25-61-45-36/37/39-28A

RIDADR 

UN 2811 6.1/PG 3

WGK Germany 

3

RTECS 

DG4708000

Autoignition Temperature

>510 °C

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

III

HS Code 

29163900

Hazardous Substances Data

98-73-7(Hazardous Substances Data)

Toxicity

LD50 orally in Rabbit: 473 - 735 mg/kg

MSDS

• Language:English Provider:4-tert-Butylbenzoic acid
• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS
• Language:English Provider:ALFA

4-tert-Butylbenzoic acid Usage And Synthesis

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

Uses

Corrosion inhibitor in cooling fluids

Uses

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

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.

4-tert-Butylbenzoic acid(98-73-7)Related Product Information

• tert-Butyl peroxybenzoate
• 4-tert-Butylbenzoyl chloride
• tert-Butylhydroquinone
• 4-tert-Butylphenol
• BOURGEONAL
• 4-tert-Butylcatechol
• Butylated hydroxyanisole
• 4-tert-Butylbenzenesulfonyl chloride
• 4-tert-Butylbenzaldehyde
• 4,4'-(Hexafluoroisopropylidene)diphthalic anhydride
• 2,2-BIS(4-CARBOXYPHENYL)HEXAFLUOROPROPANE
• 1,1,3-TRIMETHYL-3-PHENYLINDAN-4',5-DICARBOXYLIC ACID
• Methyl 4-tert-butylbenzoate
• 4-tert-Butylphthalic anhydride
• 4-tert-Butylbenzoic acid sodium salt
• 2-amino-4-tert-butylbenzoic acid
• 4-tert-Butylbenzoic acid barium salt
• 4-TERT-BUTYL-3-NITROBENZOIC ACID