Merck
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450510

Sigma-Aldrich

Deuterium oxide

99.9 atom % D, contains 0.05 wt. % 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, sodium salt

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

Quality Level

isotopic purity

99.9 atom % D

form

liquid

contains

0.05 wt. % 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, sodium salt

technique(s)

NMR: suitable

bp

101.4 °C (lit.)

mp

3.8 °C (lit.)

SMILES string

[2H]O[2H]

InChI

1S/H2O/h1H2/i/hD2

InChI key

XLYOFNOQVPJJNP-ZSJDYOACSA-N

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General description

Deuterium oxide (D2O, heavy water) is deuterated water containing 0.05wt.% 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, sodium salt. It is safe and inexpensive source of deuterium (D) for the 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

25, 100 mL in glass bottle
10×0.75 mL in ampule

Storage Class Code

12 - Non Combustible Liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Certificate of Analysis

Enter Lot Number to search for Certificate of Analysis (COA).

Certificate of Origin

Enter Lot Number to search for Certificate of Origin (COO).

Andrew J Jezewski et al.
Frontiers in cellular and infection microbiology, 11, 730413-730413 (2021-10-05)
Glycolysis controls cellular energy, redox balance, and biosynthesis. Antiglycolytic therapies are under investigation for treatment of obesity, cancer, aging, autoimmunity, and microbial diseases. Interrupting glycolysis is highly valued as a therapeutic strategy, because glycolytic disruption is generally tolerated in mammals.
NMR spectroscopy of saccharide-doped PAGAT dosimeters.
Skyt PS, et al.
Journal of Physics. Conference Series, 573 (2015)
The Exchange Reaction of Hydrogen and Deuterium Oxide.
Crist RH and Dalin GA
J. Chem. Phys. , 2(8), 548-548 (1934)
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)

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