104256

Ethyl p-toluenesulfonate

98%

• Synonym(s): Ethyl 4-methylbenzenesulfonate, Ethyl tosylate
• Linear Formula: CH₃C₆H₄SO₃C₂H₅
• CAS Number: 80-40-0
• Molecular Weight: 200.25
• Beilstein/REAXYS Number: 611213
• EC Number: 201-276-7
• MDL number: MFCD00009100
• UNSPSC Code: 12352100
• PubChem Substance ID: 24846433
• NACRES: NA.22

Properties

• Quality Level: 200
• assay: 98%
• form: solid
• refractive index: n20/D 1.511 (lit.)
• bp: 158-162 °C/10 mmHg (lit.)
• mp: 29-33 °C (lit.)
• density: 1.174 g/mL at 25 °C (lit.)
• functional group: tosylate
• SMILES string: CCOS(=O)(=O)c1ccc(C)cc1
• InChI: 1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
• InChI key: VRZVPALEJCLXPR-UHFFFAOYSA-N

Description

Application

Ethyl p-toluenesulfonate 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. 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 microextraction coupled to GC/MS in the selected ion monitoring mode.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: 316.4 °F - closed cup
• flash_point_c: 158 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves