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Ethyl p-toluenesulfonate, 98%

Catalog No. AAB2465818
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Catalog No. AAB2465818 Supplier Thermo Scientific Chemicals Supplier No. B2465818
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CAS: 80-40-0 | C9H12O3S | 200.252 g/mol

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.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
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.

Solubility
Insoluble in water.

Notes
Moisture sensitive. Store away from oxidizing agent.

Chemical Identifiers

CAS 80-40-0
Molecular Formula C9H12O3S
Molecular Weight (g/mol) 200.252
MDL Number MFCD00009100
InChI Key VRZVPALEJCLXPR-UHFFFAOYSA-N
Synonym ethyl p-toluenesulfonate, ethyl tosylate, ethyl p-tosylate, ethyl p-ts, benzenesulfonic acid, 4-methyl-, ethyl ester, ethyl p-methylbenzenesulfonate, ethyl-p-toluenesulfonate, p-toluenesulfonic acid, ethyl ester, ethyl pts, p-toluolsulfonsaeure aethyl ester
PubChem CID 6638
IUPAC Name ethyl 4-methylbenzenesulfonate
SMILES CCOS(=O)(=O)C1=CC=C(C=C1)C

Specifications

Melting Point 29°C to 34°C
Density 1.17
Boiling Point 221°C
Flash Point 157°C (314°F)
Refractive Index 1.511
Quantity 50 g
UN Number UN2811
Beilstein 611213
Sensitivity Moisture sensitive
Merck Index 14,3858
Solubility Information Insoluble in water.
Formula Weight 200.26
Percent Purity 98%
Chemical Name or Material Ethyl p-toluenesulfonate
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Hazard Category H302-H315-H319-H335-H341-H351
Hazard Statement GHS H Statement
H341-H302-H315-H319-H335
Suspected of causing genetic defects.
Harmful if swallowed.
Causes skin irritation.
Causes serious eye irritation.
May cause respiratory irritation.
Precautionary Statement P201-P202-P261-P264b-P270-P271-P280i-P281-P301+P312-P302+P352-P304+P340-P305+P351+P338-P308+P313-P330-P332+P313-P362-P501c
DOTInformation Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: TOXIC SOLIDS, ORGANIC, N.O.S.
EINECSNumber 201-276-7
RTECSNumber XT6825000
TSCA Yes
Recommended Storage Ambient temperatures; Store under Nitrogen

RUO – Research Use Only