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Ethyl palmitate-d31

CAT: 0804-HY-N2086S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N2086S-01Size:1 mg
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Description
Ethyl palmitate-d31 is the deuterium labeled Ethyl palmitate. Ethyl palmitate, a fatty acid ethyl ester (FAEE), shows a marked preference for the synthesis of ethyl palmitate and ethyl oleate over other FAEEs in human subjects after ethanol consumption. Ethyl palmitate is used as a hair- and skin-conditioning agent[1].
CAS Number
1215721-57-5
Product Name Alternative
Ethyl hexadecanoate-d31
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
98.0
Solubility
DMSO : 100mg/mL (ultrasonic)
Smiles
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(OCC)=O
Molecular Formula
C18H5D31O2
Molecular Weight
315.67
Precautions
H302, H315, H319, H335
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53 (2) :211-216.|[2]Dan L, et al. 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.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Ethyl Palmitate-d31
CAS Number1215721-57-5
PubChem CID57369475
IUPAC Nameethyl 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
Molecular FormulaC18H36O2
Molecular Weight315.7
XLogP7.8
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Heavy Atom Count20
Formal Charge0
Complexity202
SMILES
[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(=O)OCC
InChI
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
InChIKey
XIRNKXNNONJFQO-FNWSWSEFSA-N
Chemical Structure
2D Structure
2D structure of Ethyl Palmitate-d31
CAS: 1215721-57-5
CID: 57369475
Formula: C18H36O2
MW: 315.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.7
XLogP37.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count16
Exact Mass315.466109511
Monoisotopic Mass315.466109511
Topological Polar Surface Area26.3 Ų
Heavy Atom Count20
Formal Charge0
Complexity202
Isotope Atom Count31
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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