| Size | Price | |
|---|---|---|
| Other Sizes |
| Targets |
Decan-4-olide does not have a specific biological target. As a lactone, it is primarily used as a flavor and fragrance compound. The compound may interact with olfactory receptors, contributing to its sensory properties. It is not studied for pharmacological activity. Its primary relevance is in the flavor and fragrance industry rather than in pharmacology.
|
|---|---|
| ln Vitro |
Decan-4-olide has been studied for its antimicrobial and sensory properties. As a flavor and fragrance compound, it may have mild antimicrobial activity. However, its primary use is in the flavor and fragrance industry rather than as a pharmacologically active compound. In vitro studies are focused on its sensory properties and chemical reactivity rather than biological activity.
|
| ln Vivo |
Decan-4-olide has no therapeutic activity in vivo. It is used as a flavoring agent and fragrance ingredient and is generally recognized as safe for use in food and cosmetic products. The compound is metabolized in the body through hydrolysis of the lactone ring. No significant pharmacological effects have been reported.
|
| Enzyme Assay |
In vitro assays for Decan-4-olide are typically analytical rather than biological. The compound is analyzed by gas chromatography (GC) or GC-MS for purity and identity. Sensory evaluation is performed to assess its odor characteristics. Antimicrobial activity can be assessed using agar diffusion or broth dilution methods, though this is not a primary application.
|
| Cell Assay |
Cellular assays for Decan-4-olide are not typically performed as the compound is not a drug candidate. If tested, its effects on cell viability and membrane integrity could be assessed. However, the compound is primarily used in the flavor and fragrance industry and is not studied for pharmacological activity in cell-based systems.
|
| Animal Protocol |
Decan-4-olide is not used in animal studies as a therapeutic agent. The compound is a flavoring agent and is generally recognized as safe. Metabolism studies in animals have shown that decan-4-olide is hydrolyzed and metabolized to corresponding hydroxy acids and excreted. No significant pharmacological or toxicological effects have been reported at the levels used in food and cosmetic products.
|
| ADME/Pharmacokinetics |
Decan-4-olide has a molecular weight of 170.25 g/mol and molecular formula C10H18O2. It is a colorless to pale yellow liquid with a boiling point of approximately 280-285°C and a density of 0.98 g/mL. The compound is slightly soluble in water and miscible with organic solvents. It should be stored in a cool, dry place away from light and air.
|
| Toxicity/Toxicokinetics |
Decan-4-olide (γ-decalactone) is generally recognized as safe (GRAS) for use as a flavoring agent in food and as a fragrance ingredient in cosmetics. At typical usage levels, the compound has low toxicity. Skin irritation may occur at high concentrations. The compound should be handled with standard laboratory precautions. No significant toxicity has been reported at the levels used in consumer products.
|
| References |
|
| Additional Infomation |
γ-Decanolactone is a γ-lactone with the structure oxacyclopentane-2-one, where the 5-position is substituted with a hexyl group. It can be used as a flavoring agent, food additive, and anticonvulsant. It is both a γ-lactone and a tetrahydrofuranone. γ-Decanolactone has been reported to exist in Bupleurum chinense, Erycibe obtusifolia, and other organisms with relevant data. γ-Decanolactone is a metabolite of or produced by Saccharomyces cerevisiae.
Decan-4-olide (γ-decalactone, 4-decanolide) is a lactone naturally found in various fruits and used as a flavoring agent and fragrance ingredient. It has a strong, sweet, fruity, and creamy odor and is used in food and cosmetic products. The compound is not a drug and has no therapeutic applications. It is for research use as a reference standard or chemical intermediate. |
| Molecular Formula |
C10H18O2
|
|---|---|
| Molecular Weight |
170.25
|
| Exact Mass |
170.13
|
| CAS # |
706-14-9
|
| PubChem CID |
12813
|
| Appearance |
Colorless to light yellow liquid（Density：0.948 g/cm3）
|
| Density |
0.9±0.1 g/cm3
|
| Boiling Point |
266.7±8.0 °C at 760 mmHg
|
| Flash Point |
105.8±15.9 °C
|
| Vapour Pressure |
0.0±0.5 mmHg at 25°C
|
| Index of Refraction |
1.447
|
| LogP |
2.38
|
| Hydrogen Bond Donor Count |
0
|
| Hydrogen Bond Acceptor Count |
2
|
| Rotatable Bond Count |
5
|
| Heavy Atom Count |
12
|
| Complexity |
143
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
O1C(C([H])([H])C([H])([H])C1([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O
|
| InChi Key |
IFYYFLINQYPWGJ-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C10H18O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h9H,2-8H2,1H3
|
| Chemical Name |
5-hexyloxolan-2-one
|
| Synonyms |
Decanolide-1,4; 2-Decalactone; Decan-4-olide
|
| 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 (~587.37 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (14.68 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to 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: ≥ 2.5 mg/mL (14.68 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. 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. View More
Solubility in Formulation 3: ≥ 2.5 mg/mL (14.68 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 5.8737 mL | 29.3686 mL | 58.7372 mL | |
| 5 mM | 1.1747 mL | 5.8737 mL | 11.7474 mL | |
| 10 mM | 0.5874 mL | 2.9369 mL | 5.8737 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.
Products are for research use only; We do not sell to patients
Copyright 2020 InvivoChem LLC | All Rights Reserved
