364312

Sigma-Aldrich

Deuterium oxide

standard, 99.98 atom %±0.01 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

grade

standard

isotopic purity

99.98 atom %±0.01atom % D

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) also known as heavy water is deuterated water. It is safe and inexpensive source of deuterium (D) for D/H exchange reactions. The equilibrium constant for the exchange of deuterium between hydrogen (H) and D2O molecules has been determined. Reports suggest that gelatin gels prepared in D2O show higher rigidity than gels prepared in water. The influence of temperature on the heat capacity of deuterium in crystalline and liquid state was studied calorimetrically and its melting point, enthalpy and entropy of fusion were determined. Its utility as a potential therapeutic agent in treating human pancreatic cancer has been studied.

Application

Deuterium oxide may be used in the following processes:
  • As an NMR solvent.
  • Preparation of β-deuterated alcohols.
  • For the adsorption of neutrons in atomic reactors.
  • Deuterium transfer agent in combination with hexamethyldisilane in the preparation of 1,2-dideuterioalkenes from alkynes.

Packaging

10 g in ampule

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Gelatin gels in deuterium oxide.
Oakenfull D and Scott A.
Food Hydrocolloids, 17(2), 207-210 (2003)
Ruthenium-Catalyzed Regioselective Deuteration of Alcohols at the β-Carbon Position with Deuterium Oxide.
Tse SKS, et al.
Chemistry (Weinheim An Der Bergstrasse, Germany), 17(49), 13918-13925 (2011)
Thermodynamic properties of deuterium oxide in the temperature range from 6 to 350K.
Smirnova NN, et al.
The Journal of Chemical Thermodynamics, 38(7), 879-883 (2006)
The Exchange Reaction of Hydrogen and Deuterium Oxide.
Crist RH and Dalin GA
J. Chem. Phys. , 2(8), 548-548 (1934)
NMR spectroscopy of saccharide-doped PAGAT dosimeters.
Skyt PS, et al.
Journal of Physics. Conference Series, 573 (2015)

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