Ethyl palmitate-d31 is the deuterium labelled form of Ethyl palmitate. Ethyl palmitate is a fatty acid ethyl ester (FAEE) that is synthesized in greater amounts than other FAEEs in human subjects after consuming alcohol. Ethyl palmitate is used as a hair and skin conditioner.

Physicochemical Properties

Molecular Formula	C18H36O2
Molecular Weight	284.47724
Exact Mass	315.466
CAS #	1215721-57-5
Related CAS #	Ethyl palmitate;628-97-7
PubChem CID	57369475
Appearance	Colorless to light yellow liquid
Density	0.9±0.1 g/cm3
Boiling Point	342.2±0.0 °C at 760 mmHg
Flash Point	149.0±7.5 °C
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.443
LogP	8.15
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	16
Heavy Atom Count	20
Complexity	202
Defined Atom Stereocenter Count	0
SMILES	CCCCCCCCCCCCCCCC(=O)OCC
InChi Key	XIRNKXNNONJFQO-FNWSWSEFSA-N
InChi Code	InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3/i1D3,3D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2,13D2,14D2,15D2,16D2,17D2
Chemical Name	ethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontadeuteriohexadecanoate
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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
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

ln Vitro

Drug compounds have included stable heavy isotopes of carbon, hydrogen, and other elements, mostly as quantitative tracers while the drugs were being developed. Because deuteration may have an effect on a drug's pharmacokinetics and metabolic properties, it is a cause for concern [1].

References

[1]. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [2]. Ethyl palmitate and ethyl oleate are the predominant fatty acid ethyl esters in the blood after ethanol ingestion and their synthesis is differentially influenced by the extracellular concentrations of their corresponding fatty acids. Alcohol Clin Exp Res. 1997 Apr;21(2):286-92.

Solubility Data

Solubility (In Vitro)

DMSO : ~100 mg/mL (~316.79 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (7.92 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	3.5152 mL	17.5759 mL	35.1519 mL
	5 mM	0.7030 mL	3.5152 mL	7.0304 mL
	10 mM	0.3515 mL	1.7576 mL	3.5152 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.