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Dimethyl sulfone

Standard for quantitative NMR, TraceCERT®, Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

Synonym(s):

Methyl sulfone

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About This Item

Linear Formula:
(CH3)2SO2
CAS Number:
67-71-0
Molecular Weight:
94.13
Beilstein:
1737717
EC Number:
200-665-9
MDL number:
MFCD00007566
UNSPSC Code:
41116107
PubChem Substance ID:
329756159
NACRES:
NA.24

grade

Standard for quantitative NMR
certified reference material
TraceCERT®

Quality Level

300

description

qNMR Standard for D2O and organic solvents (3.2 ppm)

product line

TraceCERT®

shelf life

limited shelf life, expiry date on the label

manufacturer/tradename

Manufactured by: Sigma-Aldrich Production GmbH, Switzerland

technique(s)

HPLC: suitable
gas chromatography (GC): suitable
qNMR: suitable

bp

238 °C (lit.)

mp

107-109 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care
pharmaceutical

format

neat

SMILES string

CS(C)(=O)=O

InChI

1S/C2H6O2S/c1-5(2,3)4/h1-2H3

InChI key

HHVIBTZHLRERCL-UHFFFAOYSA-N

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General description

Dimethyl sulfone is a solvent, which can dissolve a wide range of solutes and can be generally used for high temperature reactions.
This certified reference material (CRM) is produced and certified in accordance with ISO/IEC 17025 and ISO 17034. This CRM is traceable to primary material from an NMI, e.g. NIST or NMIJ.
Certified content by quantitative NMR incl. uncertainty and expiry date are given on the certificate.
Download your certificate at: http://www.sigma-aldrich.com.

Check out our entire range of quantitative NMR standards (qNMR standards)

Application

Dimethyl sulfone has been used as internal standard, for the nuclear magnetic resonance spectrum studies of cocrystals containing API carbamazepine, synthesized using mechanochemical method of synthesis.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Other Notes

Chemical Shift: 3.2 ppm (chemical shifts may slightly vary depending on the experimental conditions)
suitable NMR solvents: D2O, DMSO-d6, CDCI3

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Legal Information

TraceCERT is a registered trademark of Merck KGaA, Darmstadt, Germany

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
BCCH9571
BCBZ3940
BCBQ8884V
BCBH9813V
BCBH3174V

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Why are dimethyl sulfoxide and dimethyl sulfone such good solvents?
Clark T, et al.
Journal of Molecular Modeling, 14, 689-697 (2008)
Make and break-Facile synthesis of cocrystals and comprehensive dissolution studies
Batzdorf.L, et al.
Journal of Molecular Structure, 1133, 18-23 (2017)
Eytan M Debbi et al.
BMC complementary and alternative medicine, 11, 50-50 (2011-06-29)
Patients with osteoarthritis (OA) take a variety of health supplements in an attempt to reduce pain and improve function. The aim of this study was to determine the efficacy of methylsulfonylmethane (MSM) in treating patients with knee OA. This study
S E Rose et al.
Magnetic resonance imaging, 18(1), 95-98 (2000-01-21)
We wish to report the detection of dimethyl sulfone (methylsulfonylmethane, C2H6O2S) in the brain of a normal 62-year-old male using in vivo proton magnetic resonance spectroscopy. The presence of this exogenous metabolite resulted from ingestion of a dietary supplement containing
Burkhard Kloesch et al.
Life sciences, 89(13-14), 473-478 (2011-08-09)
Reactive oxygen species (ROS) are highly diffusable and reactive molecules which modulate gene transcription, particularly of pro-inflammatory cytokines which play a crucial role in the nascency and progression of chronic inflammatory diseases such as rheumatoid arthritis (RA) and osteoarthritis (OA).
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