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Ethyl p-toluenesulfonate, 98%

CAS: 80-40-0 | C9H12O3S | 200.252 g/mol

$51.55 - $547.25

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
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Products 3
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AAB2465818
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Thermo Scientific Chemicals
B2465818
50 g
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AAB2465830
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Thermo Scientific Chemicals
B2465830
250 g
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AAB246580B
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Thermo Scientific Chemicals
B246580B
1000 g
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Description

Description

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.
Specifications

Chemical Identifiers

80-40-0
200.252
VRZVPALEJCLXPR-UHFFFAOYSA-N
6638
CCOS(=O)(=O)C1=CC=C(C=C1)C
C9H12O3S
MFCD00009100
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
ethyl 4-methylbenzenesulfonate

Specifications

80-40-0
1.17
157°C (314°F)
1.511
50 g
611213
14,3858
Insoluble in water.
CCOS(=O)(=O)C1=CC=C(C=C1)C
200.252
200.26
Ethyl p-toluenesulfonate
29°C to 34°C
221°C
C9H12O3S
MFCD00009100
UN2811
Moisture sensitive
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
VRZVPALEJCLXPR-UHFFFAOYSA-N
ethyl 4-methylbenzenesulfonate
6638
98%
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Safety and Handling

Safety and Handling

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.

P201-P202-P261-P264b-P270-P271-P280i-P281-P301+P312-P302+P352-P304+P340-P305+P351+P338-P308+P313-P330-P332+P313-P362-P501c

H302-H315-H319-H335-H341-H351

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

SDS
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RUO – Research Use Only