| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Decanedioic acid, diethyl ester does not have a specific biological target. It is a diester used primarily as a plasticizer and chemical intermediate. The compound is hydrolyzed to decanedioic acid and ethanol in the body. It is not used as a pharmacologically active compound but is used in cosmetic and industrial applications for its physical properties.
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|---|---|
| ln Vitro |
In study pertaining to life sciences, diethyl sebacate is a biochemical reagent that can be utilized as an organic substance or biological material.
In vitro, decanedioic acid, diethyl ester is used as a chemical reagent and intermediate in organic synthesis. Its reactivity is characterized by its two ester groups, which can undergo hydrolysis, transesterification, and other reactions. The compound is not typically evaluated for biological activity as it is not a drug candidate. It is used as a plasticizer and solvent. |
| ln Vivo |
In vivo, decanedioic acid, diethyl ester is hydrolyzed to decanedioic acid and ethanol. It is not used therapeutically and is not administered for pharmacological purposes. The compound is used in cosmetic formulations as a skin conditioning agent and emollient. Its biological effects are related to its hydrolysis products rather than the parent compound.
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| Enzyme Assay |
In vitro enzyme/receptor binding assays are not typically performed for decanedioic acid, diethyl ester, as it is not a bioactive compound. The compound is used as a chemical intermediate and reagent in organic synthesis. Its purity and chemical properties are characterized by standard analytical techniques including NMR, HPLC, and GC.
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| Cell Assay |
In vitro cell-based assays are not applicable for decanedioic acid, diethyl ester as it is not a pharmacologically active compound. The compound is used in chemical synthesis and cosmetic formulations. It is not evaluated for its effects on cell viability, proliferation, or other cellular functions. It is not intended for use in cell culture or biological research applications.
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| Animal Protocol |
In vivo animal studies for decanedioic acid, diethyl ester include toxicological evaluations for cosmetic and industrial safety. The compound is administered to animals at various doses, and general toxicity, skin irritation, and sensitization potential are assessed. The compound's safety as a cosmetic ingredient is established based on these studies.
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| ADME/Pharmacokinetics |
Decanedioic acid, diethyl ester has a molecular formula of C14H26O4 and a molecular weight of 258.35. It is a colorless liquid with a characteristic odor. The compound is soluble in organic solvents and insoluble in water. It is stored at room temperature. The compound is used as a plasticizer, solvent, and chemical intermediate in various industrial applications and as a skin conditioning agent in cosmetics.
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| Toxicity/Toxicokinetics |
The toxicity profile of decanedioic acid, diethyl ester is favorable for its intended uses. The compound has low acute toxicity and is not considered genotoxic or carcinogenic at relevant exposure levels. It may cause skin and eye irritation upon contact. The compound is not classified as a hazardous substance at typical use concentrations. Appropriate safety precautions should be taken during handling.
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| Additional Infomation |
Diethyl sebacate is a fatty acid ester.
Decanedioic acid, diethyl ester is a diester of decanedioic acid also known as diethyl sebacate. It is used as a plasticizer, solvent, and chemical intermediate in various industrial applications. The compound is also used in cosmetic formulations as a skin conditioning agent and emollient. It is hydrolyzed to decanedioic acid and ethanol in the body. Decanedioic acid, diethyl ester is used for research and industrial purposes. |
| Molecular Formula |
C14H26O4
|
|---|---|
| Molecular Weight |
258.36
|
| Exact Mass |
258.183
|
| CAS # |
110-40-7
|
| PubChem CID |
8049
|
| Appearance |
Typically exists as solid at room temperature
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
312.0±0.0 °C at 760 mmHg
|
| Melting Point |
1-2 °C(lit.)
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| Flash Point |
135.0±17.4 °C
|
| Vapour Pressure |
0.0±0.6 mmHg at 25°C
|
| Index of Refraction |
1.441
|
| LogP |
3.85
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
13
|
| Heavy Atom Count |
18
|
| Complexity |
202
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O(C([H])([H])C([H])([H])[H])C(C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C(=O)OC([H])([H])C([H])([H])[H])=O
|
| InChi Key |
ONKUXPIBXRRIDU-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3
|
| Chemical Name |
diethyl decanedioate
|
| Synonyms |
NSC 8911, Sebacic acid diethyl ester; Decanedioic acid 1,10-diethyl ester; Decanedioic acid, diethyl ester
|
| 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)
|
| 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 | 3.8706 mL | 19.3528 mL | 38.7057 mL | |
| 5 mM | 0.7741 mL | 3.8706 mL | 7.7411 mL | |
| 10 mM | 0.3871 mL | 1.9353 mL | 3.8706 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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