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N-Butyl-P-toluenesulfonate

  • Name N-Butyl-P-toluenesulfonate
  • EINECSN/A
  • CAS No. 778-28-9
  • Density1.12
  • PSA51.75000
  • LogP3.58120
  • Solubility44.9mg/L at 20℃
  • Melting PointN/A
  • FormulaC11H16 O3 S
  • Boiling Point170-172 °C (10 mmHg)
  • Molecular Weight228.312
  • Flash Point156.6°C
  • Transport InformationN/A
  • Appearanceclear light yellow to brownish liquid
  • SafetyPoison by intravenous route. Mildly toxic by subcutaneous route. See also SULFONATES. When heated to decomposition it emits toxic fumes of SOx.
  • Risk CodesR36/37/38; R22
  • Molecular Structure
    Molecular Structure of 778-28-9 (P-TOLUENESULFONIC ACID N-BUTYL ESTER)
  • Hazard SymbolsXn
  • SynonymsXn
  • Article Data50

N-Butyl-P-toluenesulfonate Chemical Properties

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

N-Butyl-P-toluenesulfonate 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.

N-Butyl-P-toluenesulfonate Consensus Reports

Reported in EPA TSCA Inventory.

N-Butyl-P-toluenesulfonate 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

N-Butyl-P-toluenesulfonate 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 .

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