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HomeProduct name listEthyl p-toluenesulfonate

Ethyl p-toluenesulfonate

Synonym(s):Ethyl 4-toluenesulfonate;p-Toluenesulfonic acid ethyl ester

  • CAS NO.:80-40-0
  • Empirical Formula: C9H12O3S
  • Molecular Weight: 200.25
  • MDL number: MFCD00009100
  • EINECS: 201-276-7
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-31 18:15:48
Ethyl p-toluenesulfonate Structural

What is Ethyl p-toluenesulfonate?

Chemical properties

Clear colorless to brownish liquid after melting

The Uses of Ethyl p-toluenesulfonate

Ethyl p-toluenesulfonate can be used in the manufacture of organic synthesis, and also can be used as intermediate of methylation reagent and sensitive material. It also is flexibilizer of cellulose acetate.

The Uses of Ethyl p-toluenesulfonate

For ethylation.

The Uses of Ethyl p-toluenesulfonate

Ethyl p-toluenesulfonate was used to develop an extraction method for methyl and ethyl esters of various sulfonic acids in active pharmaceutical ingredients using solid-phase micro extraction coupled to GC/MS in the selected ion monitoring mode. It was used in a study to develop a fast and accurate method for determination of residues of some common alkylating agents employed in drug synthesis by in situ derivatization-headspace-gas chromatography-mass spectrometry.

What are the applications of Application

Ethyl p-toluenesulfonate is used in a study to develop a fast and accurate method for determination of residues of some common alkylating agents employed in drug synthesis by in situ derivatization–headspace–gas chromatography–mass spectrometry

Synthesis Reference(s)

Chemical and Pharmaceutical Bulletin, 34, p. 2710, 1986 DOI: 10.1248/cpb.34.2710
The Journal of Organic Chemistry, 39, p. 3454, 1974 DOI: 10.1021/jo00937a050

Safety Profile

Moderately toxic by subcutaneous and intraperitoneal routes. Questionable carcinogen with experimental tumorigenic data. Mutation data reported. Combustible when exposed to heat or flame; can react with oxidzing materials. To fight fire, use CO2, dry chemical. When heated to decomposition it emits hlghly toxic fumes of SOx. See also SULFONATES and ESTERS.

Properties of Ethyl p-toluenesulfonate

Melting point: 29-33 °C(lit.)
Boiling point: 158-162 °C10 mm Hg(lit.)
Density  1.174 g/mL at 25 °C(lit.)
vapor pressure  0.6 hPa (14 °C)
refractive index  n20/D 1.511(lit.)
Flash point: 316 °F
storage temp.  2-8°C
solubility  1.24g/l
form  Liquid After Melting
color  Clear colorless to pale brown
Water Solubility  Insoluble
Sensitive  Moisture Sensitive
Merck  14,3858
BRN  611213
CAS DataBase Reference 80-40-0(CAS DataBase Reference)
NIST Chemistry Reference Benzenesulfonic acid, 4-methyl-, ethyl ester(80-40-0)
EPA Substance Registry System Benzenesulfonic acid, 4-methyl-, ethyl ester (80-40-0)

Safety information for Ethyl p-toluenesulfonate

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P271:Use only outdoors or in a well-ventilated area.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:IF ON SKIN: wash with plenty of soap and water.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Ethyl p-toluenesulfonate

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