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Ethylene glycol-d4 2219-51-4

Ethylene glycol-d4 2219-51-4

CAS No.: 2219-51-4

Ethylene glycol-d4 is the deuterium labelled form of Ethylene glycol.
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Ethylene glycol-d4 is the deuterium labelled form of Ethylene glycol.

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
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.