| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
As an analytical standard, 1-Hexadecanol-d5 is not used for studying biological targets. The non-deuterated parent compound, 1-hexadecanol (cetyl alcohol), is a fatty alcohol that can be metabolized in vivo to cetyl palmitate (a wax ester) or to palmitic acid (via oxidation) and then incorporated into cellular membranes or metabolized via beta-oxidation. Cetyl alcohol also exhibits anti-proliferative effects against certain cancer cells in vitro. It acts as a lipophilic substrate and can be incorporated into cell membranes, affecting membrane fluidity and permeability. The deuterated version shares these properties but is used as an internal standard for quantification.
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| 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].
1-Hexadecanol-d5 is not used for in vitro activity studies; it serves exclusively as an analytical internal standard. The non-deuterated parent compound, 1-hexadecanol (cetyl alcohol), has been studied in vitro for its effects on cell proliferation. In HeLa human cervical cancer cells, cetyl alcohol (at concentrations of 10-100 uM) has been shown to exhibit anti-proliferative effects as part of cetyl alcohol-derived sophorolipids. It is also used as a substrate in studies of fatty alcohol metabolism, including conversion to fatty acids by alcohol dehydrogenase and aldehyde dehydrogenase. The deuterated version is not used in these activity assays. |
| ln Vivo |
1-Hexadecanol-d5 is not intended for in vivo activity studies; it is used exclusively as an internal standard for analytical quantification. The non-deuterated parent compound, 1-hexadecanol (cetyl alcohol), is a food additive (GRAS) and a common ingredient in topical pharmaceutical and cosmetic products. It is absorbed through the skin and can be metabolized in the liver to palmitic acid, which is then incorporated into lipids or oxidized for energy. Cetyl alcohol has been studied in animal models for its effects on cholesterol metabolism and as a component of topical formulations. However, no significant systemic pharmacological activity has been reported. The deuterated version is not used in these studies.
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| Enzyme Assay |
For non-cellular assays (analytical quantification), 1-Hexadecanol-d5 is prepared as a stock solution in hexane, methanol, or chloroform (1 mg/mL). For GC-MS analysis, samples (e.g., plasma, tissue homogenates, cosmetic products) are extracted with organic solvents such as hexane or methyl tert-butyl ether. The extract is evaporated and derivatized with BSTFA (N,O-bis(trimethylsilyl)trifluoroacetamide) to form trimethylsilyl (TMS) derivatives. Derivatized samples are injected onto a GC column with MS detection in SIM mode (m/z for 1-hexadecanol-TMS: 299, for d5-labeled: 304). For LC-MS/MS, derivatization is not required; samples are analyzed directly in APCI or ESI mode. MRM transitions: 1-hexadecanol 241→241 (or fragment ions), 1-hexadecanol-d5 246→246.
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| Cell Assay |
For cell-based assays, 1-Hexadecanol-d5 is not used for activity studies. For the non-deuterated compound, cancer cells (e.g., HeLa cells) are seeded in 6-well plates (1×10⁶ cells/well) in DMEM with 10% FBS. Cells are treated with cetyl alcohol (10-100 uM, dissolved in ethanol) for 24-72 hours. Cell viability is assessed by MTT or trypan blue exclusion. For fatty alcohol metabolism studies, hepatocytes (e.g., HepG2 cells) are seeded in 6-well plates (1×10⁶ cells/well) and treated with cetyl alcohol (10-100 uM) for 0-24 hours. Palmitic acid production is measured by LC-MS/MS. For quantification of cetyl alcohol in cell lysates or medium, 1-Hexadecanol-d5 is added as internal standard before extraction.
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| Animal Protocol |
For in vivo animal experiments, 1-Hexadecanol-d5 is not typically administered as a drug. For pharmacokinetic or metabolism studies, rats or mice can be administered 1-hexadecanol-d5 as a tracer (e.g., 10-50 mg/kg, orally or intravenously). Blood samples are collected at multiple time points (0, 1, 2, 4, 6, 8, 12, 24 hours). Fatty alcohol levels in plasma are measured by GC-MS after derivatization. For tissue distribution studies, organs (liver, adipose tissue, skin) are harvested and lipids are extracted. For nutritional or toxicological studies, animals are fed diets containing cetyl alcohol, and the deuterated standard is used to quantify cetyl alcohol levels in biological samples.
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| ADME/Pharmacokinetics |
1-Hexadecanol-d5 has a molecular weight of 247.47 and is a solid at room temperature. It is soluble in DMSO (10 mg/mL), DMF (25 mg/mL), ethanol (25 mg/mL), and organic solvents such as hexane and chloroform. The deuterium labeling (five atoms) provides a mass shift of +5 Da, enabling clear differentiation from non-deuterated 1-hexadecanol. The compound should be stored as a powder at -20degC for up to 3 years, and in solution at -80degC for up to 6 months or at -20degC for up to 1 month. It is stable under normal storage conditions and should be protected from light.
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| Toxicity/Toxicokinetics |
1-Hexadecanol-d5 is a stable isotope-labeled compound with minimal toxicity at analytical concentrations (ng-ug per sample). The non-deuterated parent compound, 1-hexadecanol (cetyl alcohol), is a fatty alcohol that is generally recognized as safe (GRAS) for use in foods, cosmetics, and pharmaceuticals as a thickener and emulsifier. In animal studies, cetyl alcohol has low acute toxicity (oral LD₅0 >5000 mg/kg in rats). At high doses, it may cause mild gastrointestinal disturbances. No significant toxicity has been reported. Standard laboratory safety precautions for handling organic compounds should be followed.
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| References | |
| Additional Infomation |
1-Hexadecanol-d5 is an analytical standard and research tool, not an approved drug. No clinical trials have been conducted with the deuterated version for therapeutic purposes. The non-deuterated parent compound, 1-hexadecanol (cetyl alcohol), is a GRAS food additive and is widely used as an emulsifier, thickener, and opacifying agent in cosmetic and pharmaceutical topical formulations. It is also used as a lubricant in industrial applications. 1-Hexadecanol-d5 is used exclusively as an internal standard for quantitative GC-MS or LC-MS analysis of fatty alcohols in biological, environmental, and cosmetic samples. It is also used in lipidomics studies, metabolic flux analysis, and pharmaceutical quality control. The compound is intended for research use only.
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| Molecular Formula |
C16H29D5O
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|---|---|
| Molecular Weight |
247.47
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| Exact Mass |
242.26
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| CAS # |
1219799-18-4
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| Related CAS # |
1-Hexadecanol;36653-82-4
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| PubChem CID |
121305775
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| Appearance |
White to off-white solid powder
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| Density |
0.8±0.1 g/cm3
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| Boiling Point |
310.9±5.0 °C at 760 mmHg
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| Flash Point |
135.0±0.0 °C
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| Vapour Pressure |
0.0±1.5 mmHg at 25°C
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| Index of Refraction |
1.448
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| LogP |
7.25
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
14
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| Heavy Atom Count |
17
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| Complexity |
123
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| Defined Atom Stereocenter Count |
0
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| SMILES |
[2H]C([2H])([2H])CCCCCCCCCCCCCC([2H])([2H])CO
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| InChi Key |
BXWNKGSJHAJOGX-GJZIZAJSSA-N
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| InChi Code |
InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3/i1D3,15D2
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| Chemical Name |
2,2,16,16,16-pentadeuteriohexadecan-1-ol
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 4.0409 mL | 20.2045 mL | 40.4089 mL | |
| 5 mM | 0.8082 mL | 4.0409 mL | 8.0818 mL | |
| 10 mM | 0.4041 mL | 2.0204 mL | 4.0409 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.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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