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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

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About This Item

Empirical Formula (Hill Notation):
D2O
CAS Number:
7789-20-0
Molecular Weight:
20.03
EC Number:
232-148-9
MDL number:
MFCD00044636
UNSPSC Code:
12142201
PubChem Substance ID:
24868252
NACRES:
NA.21

isotopic purity

99.9 atom % D

Quality Level

100

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.

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Storage Class Code

12 - Non Combustible Liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

450510-VAR:
450510-25ML:
450510-BULK:
450510-10X100ML:
450510-10X0.75ML:
450510-100ML:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCV7321
MKCQ7278
MKCP1476
MKCQ7277
MKCQ5633

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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)
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)
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)
Gelatin gels in deuterium oxide.
Oakenfull D and Scott A.
Food Hydrocolloids, 17(2), 207-210 (2003)
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