| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
1,4-Dioxacycloheptadecane-5,17-dione does not target a specific protein or enzyme for pharmacological intervention. Its utility is as a fragrance ingredient and flavoring agent. The compound's musk-like odor makes it valuable in the perfume and flavor industries.
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|---|---|
| ln Vitro |
The in vitro activity of 1,4-Dioxacycloheptadecane-5,17-dione is its function as a fragrance ingredient. The compound exhibits a sweet, floral and ambrette-like odor with woody, spicy, and vanilla nuances. It has a tenacity of 1 week on blotter.
|
| ln Vivo |
No significant in vivo activity has been reported for 1,4-Dioxacycloheptadecane-5,17-dione as a therapeutic agent. The compound is primarily utilized as a fragrance ingredient and flavoring agent rather than a pharmacologically active compound.
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| Enzyme Assay |
In vitro assays for 1,4-Dioxacycloheptadecane-5,17-dione are not typically performed in the context of enzyme or receptor binding. The compound is used in the flavor and fragrance industry for its olfactory properties.
|
| Cell Assay |
For in vitro cellular experiments, 1,4-Dioxacycloheptadecane-5,17-dione is not typically used in cell-based assays. The compound is primarily used as a fragrance ingredient.
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| Animal Protocol |
In vivo animal experiments with 1,4-Dioxacycloheptadecane-5,17-dione are not commonly performed, as the compound is primarily used as a fragrance ingredient rather than a therapeutic candidate.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of 1,4-Dioxacycloheptadecane-5,17-dione have not been extensively characterized, as it is a fragrance ingredient rather than a drug candidate. The compound has a molecular weight of 270.37 g/mol and a flash point of 192°C.
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| Toxicity/Toxicokinetics |
The compound is generally recognized as safe for use as a flavoring and fragrance ingredient. Standard laboratory safety precautions should be observed when handling this chemical reagent.
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| Additional Infomation |
Ethylene oleate is a macrocyclic lactone.
1,4-Dioxacycloheptadecane-5,17-dione (Ethylene brassylate, Musk T) is a synthetic macrocyclic lactone musk used as a fragrance ingredient for its musk-like odor. The compound has no clinical or therapeutic applications. |
| Molecular Formula |
C15H26O4
|
|---|---|
| Molecular Weight |
270.37
|
| Exact Mass |
270.183
|
| CAS # |
105-95-3
|
| PubChem CID |
61014
|
| Appearance |
Colorless to light yellow liquid (Density: 1.042 g/cm3)
|
| Density |
1.042
|
| Boiling Point |
476.1±28.0 °C at 760 mmHg
|
| Melting Point |
0 - 7 °C
|
| Flash Point |
243.9±22.4 °C
|
| Vapour Pressure |
0.0±1.2 mmHg at 25°C
|
| Index of Refraction |
1.47
|
| LogP |
2.9
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
4
|
| Rotatable Bond Count |
0
|
| Heavy Atom Count |
19
|
| Complexity |
237
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
C1CCCCCC(=O)OCCOC(=O)CCCCC1
|
| InChi Key |
XRHCAGNSDHCHFJ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C15H26O4/c16-14-10-8-6-4-2-1-3-5-7-9-11-15(17)19-13-12-18-14/h1-13H2
|
| Chemical Name |
1,4-dioxacycloheptadecane-5,17-dione
|
| 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) |
DMSO: ~100 mg/mL (~369.9 mM; with ultrasonication)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (18.49 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (50.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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: ≥ 5 mg/mL (18.49 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 DMSO stock solution (50.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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: ≥ 5 mg/mL (18.49 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 DMSO stock solution (50.0 mg/mL) to 900 μL of corn oil and mix well. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.6986 mL | 18.4932 mL | 36.9864 mL | |
| 5 mM | 0.7397 mL | 3.6986 mL | 7.3973 mL | |
| 10 mM | 0.3699 mL | 1.8493 mL | 3.6986 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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