4-tert-Butylbenzoic acid (98-73-7),4-tert-Butylbenzoic acid (98-73-7) Manufacturers & Suppliers,Synthesis,MSDS

Basic information

Name:
4-tert-Butylbenzoic acid
CAS No.:
98-73-7
Molecular Structure:
Formula:
C₁₁H₁₄O₂
Molecular Weight:
178.23
Synonyms:
4-tert-butyl benzoic Acid(PTBBA);p-t-Butylbenzoic acid (PTBBA);P-Tert ¨Cbutylbenzoic Acid;P-tect-butylbenzoic acid;4-Tert-Butyl Benzois Acid(PTBBA);4-tert-butylbenzoic acid;ptbba;internal lubricant;Para-tert-butylbenzoic acid(PTBBA);Description of 4-Tert-Butylbenzoic Acid(PTBBA);P-tert-butyl Benzoic Acid;p-tert-Butylbenzoic acid calcium salt;Magnesium p-t-butylbenzoate;p-tert-Butyl benzoic acid, sodium salt;Benzoic acid, p-tert-butyl-, zinc salt;Benzoic acid, 4-(1,1-dimethylethyl)-, potassium salt;Kyselina p-terc.butylbenzoova [Czech];4-tert-butylbenzoate; zinc(+2) cation;barium(+2) cation; 4-tert-butylbenzoate;Calcium 4-(1,1-dimethylethyl)benzoate;Aluminium 4-(1,1-dimethylethyl)benzoate;Sodium p-tert-butylbenzoate;p-tert-Butyl benzoic acid, potassium salt;Benzoic acid, 4-(1,1-dimethylethyl)-, calcium salt;Benzoic acid, 4-(1,1-dimethylethyl)-, sodium salt;4-tert-butylbenzoate;Potassium p-tert-butylbenzoate;Benzoic acid, 4-(1,1-dimethylethyl)-, aluminum salt;p-t-Butylbenzoic acid, calcium salt;Benzoic acid, 4-(1,1-dimethylethyl)-, zinc salt;Zinc p-t-butylbenzoate;p-tert-Butylbenzoic acid, potassium salt;Calcium p-t-butylbenzoate;aluminum(+3) cation; 4-tert-butylbenzoate;Benzoic acid, 4-(1,1-dimethylethyl)-, barium salt;p-tert-Butylbenzoic acid;Benzoic acid, 4-(1,1-dimethylethyl)-, magnesium salt;4-(Dimethylethyl)benzoic acid, sodium salt;potassium 4-tert-butylbenzoate;Benzoic acid, 4-tert-butyl-;4-09-00-01884 (Beilstein Handbook Reference);Barium 4-(1,1-dimethylethyl)benzoate;P-T-Butylbenzoic Acid;
EINECS:
202-696-3
Density:
1.056 g/cm³
Melting Point:
162-165 °C(lit.)
Boiling Point:
283.3 °C at 760 mmHg
Flash Point:
134.9 °C
Solubility:
water: 0.07 g/L (20 oC)
Appearance:
white to slightly yellow flakes
Hazard Symbols:
Xn,N,T
Risk Codes:
20/22-62-51/53-48/20/21/22-24
Safety Description:
22-24/25-61-45-36/37/39-28A Details
Transport Information:
UN 2811 6.1/PG 3

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Chemistry

IUPAC Name: 4-tert-Butylbenzoic acid
Molecular Formula: C₁₁H₁₄O₂
Molecular Weight: 178.23 g/mol
SMILES: O=C(O)c1ccc(cc1)C(C)(C)C Copy
InChI: InChI=1/C11H14O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
EINECS: 202-696-3
Classification Code: Reproductive Effect
Product Categories: Intermediates; Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides & Salts; Organics; OPLAS; C11 to C12; Carbonyl Compounds; Carboxylic Acids
Index of Refraction: 1.523
Molar Refractivity: 51.57 cm³
Molar Volume: 168.6 cm³
Surface Tension: 37.5 dyne/cm
Density: 1.056 g/cm³
Flash Point: 134.9 °C
Enthalpy of Vaporization: 55.16 kJ/mol
Boiling Point: 283.3 °C at 760 mmHg
Water Solubility: 0.07 g/L (20 °C)
Melting Point: 162-165 °C(lit.)
Vapour Pressure of 4-tert-Butylbenzoic acid (CAS NO.98-73-7): 0.0015 mmHg at 25 °C

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	242mg/kg (242mg/kg)	BRAIN AND COVERINGS: OTHER DEGENERATIVE CHANGES BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BLOOD: HEMORRHAGE	BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 29, 1993.
mouse	LD50	oral	568mg/kg (568mg/kg)	PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE BEHAVIORAL: TREMOR BLOOD: HEMORRHAGE	BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 29, 1993.
rabbit	LD50	skin	> 900mg/kg (900mg/kg)		BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 29, 1993.
rat	LC50	inhalation	> 1900mg/m3/4H (1900mg/m3)		United States Environmental Protection Agency, Office of Pesticides and Toxic Substances. Vol. 8EHQ-0382-0440S,
rat	LD50	intravenous	> 200mg/kg (200mg/kg)		BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 29, 1993.
rat	LD50	oral	473mg/kg (473mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA	BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 29, 1993.
rat	LD50	skin	300mg/kg (300mg/kg)		BG Chemie: Toxicological Evaluations, Five Potential Health Hazards of Existing Chemicals. Vol. 5, Pg. 29, 1993.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Moderately toxic by ingestion. Experimental reproductive effects. An irritant. Combustible when exposed to heat or flame. Incompatible with oxidizing materials. To fight fire, use foam, CO₂, dry chemical. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: Harmful Xn, Dangerous N, Toxic T
Risk Statements: 20/22-62-51/53-48/20/21/22-24
R20/22:Harmful by inhalation and if swallowed.
R62:Risk of impaired fertility.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R48:Danger of serious damage to health by prolonged exposure.
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
R24:Toxic in contact with skin.
Safety Statements: 22-24/25-61-45-36/37/39-28A
S22:Do not breathe dust.
S24/25:Avoid contact with skin and eyes.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S28:After contact with skin, wash immediately with plenty of soap-suds.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
RTECS: DG4708000
HazardClass: 6.1
PackingGroup of 4-tert-Butylbenzoic acid (CAS NO.98-73-7): III

Specification

4-tert-Butylbenzoic acid (CAS NO.98-73-7), its Synonyms are p-tert-Butylbenzoic acid ; Benzoic acid, 4-(1,1-dimethylethyl)- ; Benzoic acid, 4-tert-butyl- ; Benzoic acid, p-tert-butyl- ; Kyselina p-terc.butylbenzoova . It is white to slightly yellow flakes.