296147

Dimethyl sulfoxide-d₆

99.9 atom % D, contains 0.03 % (v/v) TMS

• Synonym(s): (Methyl sulfoxide)-d₆, DMSO-d₆, Hexadeuterodimethyl sulfoxide
• Linear Formula: (CD₃)₂SO
• CAS Number: 2206-27-1
• Molecular Weight: 84.17
• UNSPSC Code: 12191502
• NACRES: NA.21
• PubChem Substance ID: 24857840
• EC Number: 218-617-0
• Beilstein/REAXYS Number: 1237248
• MDL number: MFCD00002090
• Isotopic purity: 99.9 atom % D
• Assay: 99% (CP)
• Mass shift: M+6
• Form: liquid

Properties

• vapor pressure: 0.42 mmHg ( 20 °C)
• Quality Level: 200
• isotopic purity: 99.9 atom % D
• assay: 99% (CP)
• form: liquid
• autoignition temp.: 573 °F
• contains: 0.03 % (v/v) TMS
• expl. lim.: 42 %
• technique(s): NMR: suitable
• impurities: ≤0.0250% water; water
• refractive index: n20/D 1.476 (lit.)
• bp: 189 °C (lit.)
• mp: 20.2 °C (lit.)
• density: 1.190 g/mL at 25 °C (lit.)
• mass shift: M+6
• SMILES string: [2H]C([2H])([2H])S(=O)C([2H])([2H])[2H]
• InChI: 1S/C2H6OS/c1-4(2)3/h1-2H3/i1D3,2D3
• InChI key: IAZDPXIOMUYVGZ-WFGJKAKNSA-N

Description

General description

Dimethyl sulfoxide-d₆ is a deuterated NMR solvent that is useful in NMR-based research and analyses.

Application

• Estimation of dissociation constants (pKa′s) of oximes from proton chemical shifts in dimethyl sulfoxide solution: This research utilizes Dimethyl sulfoxide-d₆ (DMSO-d₆) to determine pKa values of oximes, demonstrating its crucial role in enhancing the accuracy of proton NMR spectroscopy for chemical analysis and research within pharmaceutical contexts (Kurtz AP, D′Silva TD, 1987).


• Proton nuclear magnetic resonance studies on methylthiohydantoins, thiohydantoins, and hydantoins of amino acids: DMSO-d₆ is extensively employed to investigate the structure and behavior of various hydantoin derivatives in amino acid research, proving essential for understanding protein structures and functions, with implications for both academic and pharmaceutical industries (Suzuki T, Tomioka T, Tuzimura K, 1977).

Other Notes

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

Safety Information

• Storage Class: 10 - Combustible liquids
• wgk: WGK 1
• flash_point_f: 190.4 °F
• flash_point_c: 88 °C
• ppe: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)