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151882

Sigma-Aldrich

Deuterium oxide

99.9 atom % D

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Synonym(s):
Heavy water, Water-d2
Empirical Formula (Hill Notation):
D2O
CAS Number:
7789-20-0
Molecular Weight:
20.03
EC Number:
232-148-9
MDL number:
MFCD00044636
PubChem Substance ID:
24849176
NACRES:
NA.21

isotopic purity

99.9 atom % D

Quality Level

200

form

liquid

technique(s)

NMR: suitable
bio NMR: suitable

bp

101.4 °C (lit.)

mp

3.8 °C (lit.)

storage temp.

room temp

SMILES string

[2H]O[2H]

InChI

1S/H2O/h1H2/i/hD2

InChI key

XLYOFNOQVPJJNP-ZSJDYOACSA-N

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General description

Deuterium oxide, a deuterated solvent, is a standard prurity solvent for NMR (Nuclear Magnetic Resonance) analyses. Various thermodynamic properties (such as intermolecular vibrational frequencies, energy of the hydrogen bond, free energy, enthalpy and entropy) of liquid deuterium oxide have been evaluated. Ionization constant for D2O (in the range of 5-50°C), pK values (at 25°C) and enthalpy, entropy, heat capacity change (for the dissociation of D2O) have been reported.

Application

Deuterium oxide (Heavy water, Water-d2, D2O) has been used as solvent for the dissolution of internal standard and sample during quantification experiments by NMR. It has been used for the dissolution of tris(2,2′-bipyridyl)dichlororuthenium(II) hexahydrate Ru(bpy)3.4
Deuterium oxide may be used:
  • To prepare trifluoroacetic acid-d by reacting with trifluoroacetic anhydride.
  • As a deuteration agent for primary and secondary alcohols at the β-carbon position via H/D exchange reaction in the presence of ruthenium catalyst.
  • Along with hexamethyldisilane as a deuterium transfer reagent for alkynes to form (E)-1,2-dideuterioalkenes in the presence of a palladium complex.

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also commonly purchased with this product

Product No.
Description
Pricing

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificates of Analysis (COA)

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  3. How should I store Product 151882, Deuterium oxide, to preserve its purity?

    According to our MSDS, deuterium oxide is classified as hygroscopic and should be stored under an inert gas like nitrogen, to prevent hydrogenated water uptake.

  4. I don't have the ability to store Product 151882, Deuterium oxide, under nitrogen to prevent H2O uptake. Is there another way that I can work with D20 in order to preserve its purity?

    You may be interested in our ampulized deuterium oxide products: 521965 (10x0.6mL), 441376 (10x0.75mL) or 269794 (10x1mL). These products are ideal for one time use applications, like as an NMR solvent, because there is decreased chance of water uptake during storage.

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Muidh Alheshibri et al.
Journal of colloid and interface science, 537, 123-131 (2018-11-14)
Robust methods for differentiating long-lived nanobubbles from other nanoparticles are required. Evaluation of the density and compressibility of nanoparticles should enable nanobubbles to be differentiated from other nanoparticles, although the response of nanobubbles to pressure can be strongly influenced by
Ruthenium-Catalyzed Regioselective Deuteration of Alcohols at the ?-Carbon Position with Deuterium Oxide.
Tse SKS, et al.
Chemistry?A European Journal , 17(49), 13918-13925 (2011)
Useful NMR solvent mixture for polyesters: Trifluoroacetic acid-d/chloroform-d.
Hariharan R and Pinkus AG.
Polym. Bull., 30(1), 91-95 (1993)
Structure of water and hydrophobic bonding in proteins. IV. The thermodynamic properties of liquid deuterium oxide.
Nemethy G and Scheraga HA.
J. Chem. Phys. , 41(3), 680-689 (1964)
Ling Rong Wong et al.
Biomedicines, 8(12) (2020-12-16)
Accumulating evidence suggests that disruptions in brain energy metabolism may be a key player in the pathogenesis of Alzheimer's disease (AD). Pioglitazone (PIO) has been found to exert beneficial effects on metabolic dysfunction in many AD preclinical studies. However, limited
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NMR Deuterated Solvent Properties Reference Chart

Use this reference table to find the coupling values and chemical shifts of our NMR (deuterated) solvents. Melting and boiling points, molecular weight, density, and CAS number are also listed.

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