Physicochemical Properties
| Molecular Formula | C2H2D4O2 |
| Molecular Weight | 66.09 |
| Exact Mass | 66.061 |
| CAS # | 2219-51-4 |
| PubChem CID | 2733137 |
| Appearance | Colorless to light yellow liquid |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 197.5±0.0 °C at 760 mmHg |
| Melting Point | -13ºC(lit.) |
| Flash Point | 108.2±13.0 °C |
| Vapour Pressure | 0.1±0.8 mmHg at 25°C |
| Index of Refraction | 1.422 |
| LogP | -1.69 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Heavy Atom Count | 4 |
| Complexity | 6 |
| Defined Atom Stereocenter Count | 0 |
| SMILES | [2H]C([2H])(C([2H])([2H])O)O |
| InChi Key | LYCAIKOWRPUZTN-LNLMKGTHSA-N |
| InChi Code | InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i1D2,2D2 |
| Chemical Name | 1,1,2,2-tetradeuterioethane-1,2-diol |
| HS Tariff Code | 2934.99.9001 |
| Storage |
Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition | Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs) |
Biological Activity
| References |
[1]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. |
Solubility Data
| Solubility (In Vitro) |
H2O :~200 mg/mL (~3026.18 mM) DMSO :~100 mg/mL (~1513.09 mM) |
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (37.83 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (37.83 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (37.83 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 15.1309 mL | 75.6544 mL | 151.3088 mL | |
| 5 mM | 3.0262 mL | 15.1309 mL | 30.2618 mL | |
| 10 mM | 1.5131 mL | 7.5654 mL | 15.1309 mL |