[(2H)oxy](2H)

• ChemBase ID: 106230
• Molecular Formular: H2O
• Molecular Mass: 18.01528
• Monoisotopic Mass: 18.01056468
• SMILES: O
• Canonical SMILES: O
• InChI: InChI=1S/H2O/h1H2
• InChIKey: XLYOFNOQVPJJNP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(^2H)oxy](^2H); [(^2H)oxy](^2H)
• IUPAC Traditional name: heavy water; deuterium oxide
• Synonyms: Deuterium oxide Ultra-D; Water, heavy; DEUTERIUM OXIDE-D; DEUTERIUM OXIDE; DEUTERIUM OXIDE, 99.0-99.8%; Deuterium monoxide; Deuterium oxide; Water-d₂; Heavy water; Heavy water; Water-d2; Deuterium oxide; Dideuterium monoxide; 重水; 氘代水; 重水; 氧化氘

Database IDs

• CAS Number: 7789-20-0
• EC Number: 232-148-9
• MDL Number: MFCD00044636
• Merck Index: 142940
• PubChem SID: 24851506; 24877755; 24877781; 24862426; 24861317; 24857982; 24856350; 24856349; 24861200; 24867656; 24849177; 24866494; 24857630; 24882119; 24882120; 24874840; 24874238; 24849176; 162087203; 24868795; 24851541; 24884387; 24867657; 24868252; 24867256
• PubChem CID: 24602
• CHEBI ID: 41981
• Chemspider ID: 23004
• Gmelin ID: 97
• KEGG ID: D03703
• MeSH Name: Deuterium+Oxide
• Unique Ingredient Identifier: J65BV539M3
• Wikipedia Title: Heavy_water

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 3.7 cm^3
• Polarizability: 1.4714895 Å^3
• Polar Surface Area: 25.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Apperance: Liquid; Very pale blue, transparent liquid
• Melting Point: 3.8 °C(lit.); 3.82°C (276.97K); 3.82°C
• Boiling Point: 101.4 °C; 101.4 °C(lit.); 101.4°C; 101.4°C
• Density: 1.078 g/mL; 1.105; 1.107 g mL^-1; 1.107 g/mL at 25 °C; 1.107 g/mL at 25 °C(lit.)
• Refractive Index: 1.328; 1.338; n20/D 1.328(lit.)
• Partition Coefficient: -1.38
• Dipole Moment: 1.87 D
• Viscosity: 1.25 mPa s (at 20 °C)
• Odor: Odorless
• Mass Shift: M+2

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: ZC0230000
• German water hazard class: 3
• TSCA Listed: 是
• NFPA704:
  

  0

  1

  1

Product Information

• Purity: 99.0-99.8%; 99.8% (Isotopic); 99.9%; 99.95+% (Isotopic); 99.96%
• Grade: standard
• Isotopic Purity: ≥99.96 atom % D; ≥99.999 atom % D; 70 atom % D; 99 atom % D; 99.8 atom % D; 99.9 atom % D; 99.96 atom % D; 99.98 atom %±0.01atom % D; 99.99 atom % D (for D2O); 99.990 atom % D; 99.994 atom % D
• Packaging: pk of 10 × 0.5 mL; pk of 10 × 0.6 mL; pk of 10 × 0.75 mL; pk of 10 × 1 mL; pk of 5 × 0.5 mL
• Impurities: ~150 dpm/mL tritium; 0.75% 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, sodium salt
• Contains: 0.01 % (w/v) DSS-d6; 0.05 wt. % 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, sodium salt; 0.75 wt. % 3-(trimethylsilyl)propionic-2,2,3,3-d4 acid, sodium salt; 1 % (w/w) 3-(trimethylsilyl)-1-propanesulfonic acid, sodium salt (DSS); 1 mM terephthalic acid disodium salt; 1% DSS-d6
• Purified By: glass distillation
• Linear Formula: D2O
• Empirical Formula (Hill Notation): D2O

DETAILS

MP Biomedicals - 05207184

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02511913

Low in paramagnetic impurities
Purity: 99.96% D atom.
d= 1.1 gm/ml

MP Biomedicals - 02510714

Purity: 99.96% D atom.
d= 1.11 gm/ml

MP Biomedicals - 02510713

D₂ O
Purity: 99.9% D atom.
d= 1.11 gm/ml

Sigma Aldrich - 191701

Packaging
10 g in ampule
50 g in glass bottle

Sigma Aldrich - 151890

Packaging
1, 4 kg in glass bottle
250 g in glass bottle
30 mL in serum bottle
10×0.75, 10×1 mL in ampule
10, 50 g in glass bottle
125 g in Sure/Seal™

Sigma Aldrich - 298387

Packaging
1 pkg in ampule

Sigma Aldrich - 293040

Packaging
10×1 mL in ampule
25, 100 g in glass bottle

Sigma Aldrich - 530522

Packaging
1 pkg in ampule

Sigma Aldrich - 347167

Packaging
1 kg in glass bottle
100 g in glass bottle

Sigma Aldrich - 364312

Packaging
10 g in ampule

Sigma Aldrich - 192341

Packaging
10, 30 g in serum bottle

Sigma Aldrich - 441368

Packaging
1 pkg in ampule

Sigma Aldrich - 435767

Packaging
1 kg in glass bottle
25, 100 g in glass bottle

Sigma Aldrich - 613428

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 269786

Packaging
1 pkg in ampule

Sigma Aldrich - 423459

Packaging
1 pkg in ampule

Sigma Aldrich - 613398

Packaging
10, 50 g in serum btl

Sigma Aldrich - 450510

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

Sigma Aldrich - 661643

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

Sigma Aldrich - 151882

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
Packaging
1 L in glass bottle
1, 1.107, 4 kg in glass bottle
10×0.6, 10×0.75, 10×1 mL in ampule
250, 500 g in glass bottle
10, 25, 100 g in glass bottle
125 g in Sure/Seal™

Sigma Aldrich - 530867

Packaging
1 L in glass bottle

Sigma Aldrich - 343773

Packaging
25, 100 g in glass bottle

Sigma Aldrich - 613444

Packaging
100 g in glass bottle

Sigma Aldrich - 441376

Packaging
1 pkg in ampule

Sigma Aldrich - 269794

Packaging
1 pkg in ampule

Sigma Aldrich - 617385

Packaging
1, 1.107 kg in glass bottle

Sigma Aldrich - 453366

Packaging
10×0.5 mL in ampule

Sigma Aldrich - 521965

Packaging
1 pkg in ampule

Toronto Research Chemicals - D298202

Deuterium Oxide is used to prepare specifically labelled isotopologs of organic compounds.