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778-28-9

Basic Information
CAS No.: 778-28-9
Name: P-TOLUENESULFONIC ACID N-BUTYL ESTER
Article Data: 50
Molecular Structure:
Molecular Structure of 778-28-9 (P-TOLUENESULFONIC ACID N-BUTYL ESTER)
Formula: C11H16 O3 S
Molecular Weight: 228.312
Synonyms: p-Toluenesulfonicacid, butyl ester (6CI,7CI,8CI); 4-Methylbenzenesulfonic acid butyl ester;Butyl 4-toluenesulfonate; Butyl p-methylbenzenesulfonate; Butylp-toluenesulfonate; NSC 6190; Toluene-4-sulfonic acid butyl ester; n-Butylp-toluenesulfonate; n-Butyl tosylate
Density: 1.12
Boiling Point: 170-172 °C (10 mmHg)
Flash Point: 156.6°C
Solubility: 44.9mg/L at 20℃
Appearance: clear light yellow to brownish liquid
Hazard Symbols: Xn
Risk Codes: R36/37/38; R22
Safety: Poison by intravenous route. Mildly toxic by subcutaneous route. See also SULFONATES. When heated to decomposition it emits toxic fumes of SOx.
PSA: 51.75000
LogP: 3.58120
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Chemistry

IUPAC Name: Butyl 4-methylbenzenesulfonate
Synonyms: Benzenesulfonic acid, 4-methyl-, butyl ester ; Butyl 4-methylbenzenesulfonate ; Butyl p-methylbenzenesulfonate ; Butyl p-toluenesulfonate ; Butyl toluene-4-sulphonate ; Butyl tosylate
CAS NO: 778-28-9
Molecular Formula of N-Butyl-P-toluenesulfonate (CAS NO.778-28-9) : C11H16O3S
Molecular Weight of N-Butyl-P-toluenesulfonate (CAS NO.778-28-9) : 228.31
Molecular Structure of N-Butyl-P-toluenesulfonate (CAS NO.778-28-9) :
EINECS: 212-295-5
Product Categories:
Mol File: 778-28-9.mol
Index of Refraction: 1.506
Surface Tension: 37.1 dyne/cm
Density: 1.122 g/cm3
Flash Point: 156.6 °C
Enthalpy of Vaporization: 55.55 kJ/mol
Boiling Point: 335.4 °C at 760 mmHg
Vapour Pressure: 0.000234 mmHg at 25°C
Appearance:clear light yellow to brownish liquid

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 2, Pg. 303, 1950.
mouse LD50 intravenous 320mg/kg (320mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01764,
rat LD50 subcutaneous 5gm/kg (5000mg/kg)   Zeitschrift fuer Krebsforschung. Vol. 74, Pg. 241, 1970.

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous route. Mildly toxic by subcutaneous route. See also SULFONATES. When heated to decomposition it emits toxic fumes of SOx.
Hazard CodesHarmfulXn
Risk Statements 36/37/38-22
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 37/39-26
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
RTECS XT6400000

Specification

General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear.
Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. 
Handling: Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage: Store in a cool, dry place. Store in a tightly closed container .