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49497

Supelco

Dimethyl sulfate

for GC derivatization, LiChropur™, ≥99.0% (GC)

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Synonym(s):
Sulfuric acid dimethyl ester
Linear Formula:
(CH3O)2SO2
CAS Number:
77-78-1
Molecular Weight:
126.13
Beilstein:
635994
EC Number:
201-058-1
MDL number:
MFCD00008416
UNSPSC Code:
12000000
PubChem Substance ID:
329757463
NACRES:
NA.22

grade

for GC derivatization

Quality Level

100

vapor density

4.3 (vs air)

vapor pressure

0.7 mmHg ( 25 °C)

Assay

≥99.0% (GC)

autoignition temp.

923 °F

quality

LiChropur™

reaction suitability

reagent type: derivatization reagent
reaction type: Alkylations

technique(s)

gas chromatography (GC): suitable

refractive index

n20/D 1.386 (lit.)
n20/D 1.387

bp

188 °C (lit.)

mp

−32 °C (lit.)

density

1.333 g/mL at 25 °C (lit.)

SMILES string

COS(=O)(=O)OC

InChI

1S/C2H6O4S/c1-5-7(3,4)6-2/h1-2H3

InChI key

VAYGXNSJCAHWJZ-UHFFFAOYSA-N

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Application

Dimethyl sulfate may be used as a derivatization reagent for the esterification reaction in the determination of pharmaceuticals by automated aqueous derivatization solid-phase microextraction (SPME) coupled with gas chromatography/mass spectrometry (GC/MS).

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Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

Signal Word

Danger

Hazard Classifications

Acute Tox. 2 Inhalation - Acute Tox. 3 Oral - Carc. 1B - Eye Dam. 1 - Muta. 2 - Skin Corr. 1B - Skin Sens. 1

WGK

WGK 3

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Regulatory Information

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M J Cardador et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 878(21), 1824-1830 (2010-06-15)
Haloacetic acids (HAAs) are water disinfection byproducts (DBPs) formed by the reaction of chlorine oxidizing compounds with natural organic matter in water containing bromine. HAAs are second to trihalomethanes as the most commonly detected DBPs in surface drinking water and
Siming Huang et al.
Talanta, 136, 198-203 (2015-02-24)
An automated aqueous derivatization solid-phase microextraction (SPME) coupled with a gas chromatography/mass spectrometry (GC/MS) method was developed for simultaneous determination of eight pharmaceuticals in water samples. Dimethyl sulfate and tetrabutylammonium hydrogen sulfate were selected as derivatization and activation reagents for

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