151890

Sigma-Aldrich

Deuterium oxide

"100%", ≥99.96 atom % D

Synonym(s):
Heavy water, Water-d2
Empirical Formula (Hill Notation):
D2O
CAS Number:
Molecular Weight:
20.03
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.21
Pricing and availability is not currently available.

Quality Level

isotopic purity

≥99.96 atom % D

form

liquid

application(s)

NMR: suitable

bp

101.4 °C (lit.)

mp

3.8 °C (lit.)

SMILES string

2HO2H

InChI

1S/H2O/h1H2/i/hD2

InChI key

XLYOFNOQVPJJNP-ZSJDYOACSA-N

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General description

Deuterium oxide (D2O) is a deuterated solvent. It is 100% isotopically enriched solvent for NMR (Nuclear Magnetic Resonance). It is widely employed in high resolution NMR studies. 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.

Packaging

10×0.75, 10×1 mL in ampule
125 g in Sure/Seal™
250 g in glass bottle
1 kg in glass bottle
10, 50 g in glass bottle

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

The ionization constant of deuterium oxide from 5 to 50?.
Covington AK, et al.
The Journal of Physical Chemistry, 70(12), 3820-3824 (1966)
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)
Using high-performance quantitative NMR (HP-qNMR?) for certifying traceable and highly accurate purity values of organic reference materials with uncertainties< 0.1%.
Weber M, et al.
Accreditation and Quality Assurance, 18(2), 91-98 (2013)
Takhar Kasumov et al.
American journal of physiology. Heart and circulatory physiology, 304(9), H1201-H1214 (2013-03-05)
Traditional proteomics provides static assessment of protein content, but not synthetic rates. Recently, proteome dynamics with heavy water ((2)H2O) was introduced, where (2)H labels amino acids that are incorporated into proteins, and the synthesis rate of individual proteins is calculated...
Frank Grüne et al.
Anesthesiology, 120(2), 335-342 (2013-09-07)
Hyperventilation is known to decrease cerebral blood flow (CBF) and to impair cerebral metabolism, but the threshold in patients undergoing intravenous anesthesia is unknown. The authors hypothesized that reduced CBF associated with moderate hyperventilation might impair cerebral aerobic metabolism in...
Related Content
NMR spectroscopy is an analytic technique to determine molecular structure, chemical composition and purity. NMR detects the energy absorbed due to nuclear spin states in the presence of a strong magnetic field.
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