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435767

Sigma-Aldrich

Deuterium oxide

99 atom % D

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:
24867256
NACRES:
NA.21
technique(s):
NMR: suitable
bio NMR: suitable
bp:
101.4 °C (lit.)
Pricing and availability is not currently available.

isotopic purity

99 atom % D

form

liquid

technique(s)

NMR: suitable
bio 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) also known as heavy water is deuterated water. It is safe and inexpensive source of deuterium (D) for the D/H exchange reactions.[1] The equilibrium constant for the exchange of deuterium between hydrogen (H) and D2O molecules has been determined.[2] Reports suggest that gelatin gels prepared in D2O show higher rigidity than gels prepared in water.[3] 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.[4] Its utility as a potential therapeutic agent in treating human pancreatic cancer has been studied.[5]

Application

Deuterium oxide may be used in the following processes:
  • As an NMR solvent.[6]
  • Preparation of β-deuterated alcohols.[1]
  • For the adsorption of neutrons in atomic reactors.[4]
  • Deuterium transfer agent in combination with hexamethyldisilane in the preparation of 1,2-dideuterioalkenes from alkynes.[7]

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Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MKCS3651
MKCQ2267
MKCM6980
MKCK0743
MKCG5441

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A Sesilja Aranko et al.
Molecules (Basel, Switzerland), 26(19) (2021-10-14)
An efficient self-cleavable purification tag could be a powerful tool for purifying recombinant proteins and peptides without additional proteolytic processes using specific proteases. Thus, the intein-mediated self-cleavage tag was developed and has been commercially available as the IMPACT™ system. However
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)
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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  1. How is shipping temperature determined? And how is it related to the product storage temperature?

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    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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  2. How can I determine the shelf life / expiration / retest date of this product?

    1 answer

    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/449/386/product-dating-information-mk.pdf

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