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Merck
CN

49497

Dimethyl sulfate

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

Synonym(s):

Sulfuric acid dimethyl ester

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About This Item

Linear Formula:
(CH3O)2SO2
CAS Number:
77-78-1
Molecular Weight:
126.13
UNSPSC Code:
12352200
NACRES:
NA.22
PubChem Substance ID:
329757463
EC Number:
201-058-1
Beilstein/REAXYS Number:
635994
MDL number:
MFCD00008416
Assay:
≥99.0% (GC)

Key Documents

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InChI key

VAYGXNSJCAHWJZ-UHFFFAOYSA-N

InChI

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

SMILES string

COS(=O)(=O)OC

grade

derivatization grade (GC derivatization)

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.)

Quality Level

100

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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).

Other Notes

Discover LiChropur™ reagents ideal for HPLC or LC-MS analysis

Legal Information

LiChropur is a trademark of Merck KGaA, Darmstadt, Germany

signalword

Danger

Hazard Classifications

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

Storage Class

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

wgk

WGK 3

flash_point_f

181.4 °F - closed cup

flash_point_c

83 °C - closed cup

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
BCCG3818
BCCD4641
BCBZ8985
BCBX5115
BCBW6748

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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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