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Merck
CN

104256

Ethyl p-toluenesulfonate

98%

Synonym(s):

Ethyl 4-methylbenzenesulfonate, Ethyl tosylate

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About This Item

Linear Formula:
CH3C6H4SO3C2H5
CAS Number:
80-40-0
Molecular Weight:
200.25
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846433
EC Number:
201-276-7
Beilstein/REAXYS Number:
611213
MDL number:
MFCD00009100
Assay:
98%
Form:
solid

Key Documents

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assay

98%

form

solid

InChI key

VRZVPALEJCLXPR-UHFFFAOYSA-N

InChI

1S/C9H12O3S/c1-3-12-13(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3

SMILES string

CCOS(=O)(=O)c1ccc(C)cc1

refractive index

n20/D 1.511 (lit.)

bp

158-162 °C/10 mmHg (lit.)

Quality Level

200

density

1.174 g/mL at 25 °C (lit.)

functional group

tosylate

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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.

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

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

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB5808
STBL4207
SDBB0560
STBL1861
BCCJ1329

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Ivelisse Colón et al.
Journal of pharmaceutical and biomedical analysis, 39(3-4), 477-485 (2005-06-14)
The development, optimization and validation of an extraction method for methyl and ethyl esters of various sulfonic acids is presented. The extraction and determination of these esters in active pharmaceutical ingredients (APIs) was accomplished using solid-phase microextraction coupled to GC/MS
Roberto Alzaga et al.
Journal of pharmaceutical and biomedical analysis, 45(3), 472-479 (2007-08-28)
A simple, reliable and fast procedure for the simultaneous determination of residues of some common alkylating agents (AAs), such as mesylates, besylates, tosylates and sulfates, employed in drug synthesis, has been developed by in situ derivatization-headspace-gas chromatography-mass spectrometry. Pentafluorothiophenol is
Olivier Barret et al.
Journal of nuclear medicine : official publication, Society of Nuclear Medicine, 56(4), 586-591 (2015-02-24)
PET with selective adenosine 2A receptor (A2A) radiotracers can be used to study a variety of neurodegenerative and neuropsychiatric disorders in vivo and to support drug-discovery studies targeting A2A. The aim of this study was to describe the first in

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