CAS: 7789-20-2
SKU: S3110
Deuterium Oxide | SKU: S3110
Synonyms: Heavy water; Water-d2
Deuterium oxide, widely known as heavy water, is water in which both hydrogen atoms are replaced by deuterium, the stable heavy isotope of hydrogen. This isotopic substitution shifts vibrational and hydrogen-bonding behavior just enough that D2O acts as a nearly “invisible” background solvent in proton NMR, allowing sample and standard signals to be read without interference. Sarchem Labs supplies Deuterium Oxide (CAS 7789-20-0) as an NMR-grade liquid manufactured to consistent isotopic purity, with each lot supported by a Certificate of Analysis and Safety Data Sheet. It is used primarily as a deuterated NMR solvent, as an exchange/tracer medium in mechanistic and kinetic studies, and as a starting reagent for preparing other deuterated compounds.

Specifications

Boiling Point101.4 °C (lit.)
Melting Point3.8 °C (lit.)
Density1.1050 g/mL
Specific Gravity Approx1.105
Flash PointNot applicable
ColorColorless
Linear FormulaD2O
Formula Weight20.02
Physical FormLiquid
Chemical Name or MaterialDeuterium oxide, 99.8 atom % D
Molecular Weight20.02 g/mol
SMILES String[2H]O[2H]
GradeNMR
Merck Index15, 2942
Solubility InformationSolubility in water: miscible, exothermic reaction.
Refractive Index1.328
Assay99.75% min (existing Sarchem spec — Sigma's own listing states 99.9 atom% D for their own SKU, a different product; not substituted in, see note)
Viscosity1.25 mPa.s (20°C)
Deuterium (D)99.75% min.
CAS Number7789-20-0 (corrected — see flag above)
Storage TemperatureRoom temperature
Storage Class12 – Non-Combustible Liquids
EC Number232-148-9
NACRESNA.21
PubChem Substance ID24849176
UNSPSC Code12142201
MDL NumberMFCD00044636
Quality Segment200
InChI1S/H2O/h1H2/i/hD2
InChI KeyXLYOFNOQVPJJNP-ZSJDYOACSA-N

Applications

Deuterated solvent for dissolving samples and internal standards in quantitative NMR experiments
Solvent for dissolving ruthenium coordination complexes such as tris(2,2′-bipyridyl)dichlororuthenium(II) hexahydrate
Reagent for synthesizing trifluoroacetic acid-d via reaction with trifluoroacetic anhydride
Deuteration source for introducing deuterium at the beta-carbon of primary and secondary alcohols through ruthenium-catalyzed H/D exchange
Deuterium-transfer component (paired with hexamethyldisilane) in palladium-catalyzed conversion of alkynes to (E)-1,2-dideuterioalkenes

Product Description

24602

What is Deuterium Oxide?

Deuterium oxide is the deuterated analog of water, built from two deuterium atoms and one oxygen atom in place of ordinary hydrogen. Deuterium carries an extra neutron compared to protium, and that added mass changes how the molecule vibrates and how strongly it participates in hydrogen bonding, which shifts its physical constants — a higher boiling point, higher melting point, and greater density than ordinary water. Because the deuterium nucleus behaves very differently from a proton under an NMR magnetic field, D2O contributes essentially no interfering signal in standard proton NMR spectra.

Sarchem Labs’ Deuterium Oxide is manufactured and packaged as an NMR-grade liquid, intended for laboratories that need dependable isotopic purity lot after lot.

Uses of Deuterium Oxide

The dominant use is as the solvent of choice for solution-state NMR, where its lack of a competing proton signal lets chemists observe analyte and internal standard peaks cleanly. Beyond spectroscopy, it serves as a dissolution medium for certain metal complexes and as a mechanistic tool for tracking hydrogen positions and exchange pathways.

D2O is also a practical synthetic building block, used to generate other deuterated reagents such as trifluoroacetic acid-d, and functions as the deuterium source in catalytic H/D exchange reactions that label alcohols or convert alkynes into deuterated alkenes.

Safety Information

No GHS pictograms, signal word, or hazard/precautionary statements were assigned to this material in the reference data reviewed — deuterium oxide has a low apparent hazard profile, consistent with it being chemically water in an isotopically substituted form. That said, “no GHS classification listed” is not the same as “no precautions required”:

  • Storage Class: 12 – Non-Combustible Liquids
  • Flash Point: Not applicable
  • Handling/PPE: Standard laboratory PPE recommended — safety glasses, lab coat, chemical-resistant gloves.
  • Storage: Room temperature, tightly closed container; minimize exposure to humid air to preserve isotopic purity.
  • WGK: Not included in the reference data reviewed — confirm against your own SDS if a WGK value is required.

Related Products

FAQs: Deuterium Oxide

Ordinary water's hydrogen atoms produce a strong proton signal that would swamp signals from a dissolved sample. Deuterium's nucleus responds differently under the magnetic field used in proton NMR, so D2O acts as a nearly signal-free background.

No — deuterium is a stable, naturally occurring, non-radioactive isotope of hydrogen, and heavy water is not radioactive. It carries no GHS pictograms or hazard statements in supplier safety data.

It indicates that at least 99.75% of the hydrogen atoms in the material are the deuterium isotope. Higher deuterium content generally means a cleaner NMR background.

Kept tightly sealed at room temperature, since D2O readily undergoes hydrogen/deuterium exchange with moisture in the surrounding air.

NMR solvent use is by far its most common application, but D2O is also used in isotope-labeling and deuteration chemistry.