| Size | Price | Stock | Qty |
|---|---|---|---|
| 50g |
|
||
| Other Sizes |
| Targets |
Vanillyl butyl ether does not have a specific pharmacological target in the traditional sense. It is a vanilloid warming agent that acts on sensory neurons to produce a warming sensation. The compound is structurally related to vanilloids such as capsaicin, which activate the transient receptor potential vanilloid 1 (TRPV1) channel, although VBE primarily produces warming rather than pungent effects. The warming sensation is mediated through stimulation of thermosensitive TRP channels, likely TRPV1 or other temperature-sensitive receptors. Vanillyl butyl ether is used as a flavoring agent in food products and as a warming agent in cosmetics and personal care products.
|
|---|---|
| ln Vitro |
In vitro, Vanillyl butyl ether functions as an oil-soluble warming agent that induces an enduring and gentle warming sensation on the skin. It is an ether of monohydroxybenzoic acid and a synthetic alkoxy-substituted benzyl derivative. The compound's warming properties make it suitable for body slimming products, foot care products, and other partial warming products. It is compatible with emulsions and creams. Vanillyl butyl ether is also used as a flavoring agent in food products. Its in vitro activity is primarily related to its sensory effects rather than specific biological activities.
|
| ln Vivo |
In vivo, Vanillyl butyl ether produces an enduring and gentle warming sensation on the skin and increases skin temperature. It is suitable for body slimming products, foot care products, and other partial warming products. The compound is added to food products as a flavoring agent and is present in cosmetics and personal care products. Its warming effects are utilized in topical formulations for sensory enhancement and potential therapeutic benefits such as improved circulation. However, detailed in vivo pharmacokinetic and efficacy data for Vanillyl butyl ether are not extensively reported. The compound is intended for use in cosmetics, personal care, and food products.
|
| Enzyme Assay |
In vitro enzyme/receptor binding (non-cellular) assays for Vanillyl butyl ether are not standard pharmacological assays, as the compound is primarily a sensory agent and flavoring ingredient. However, the compound's interaction with TRP channels such as TRPV1 may be studied using cell-based or membrane-based assays. Radioligand binding assays using membrane preparations from cells expressing TRPV1 can measure displacement of labeled vanilloid ligands by Vanillyl butyl ether. Alternatively, calcium flux assays using isolated membrane preparations can assess channel activation. These assays help characterize the compound's mechanism of action on thermosensitive receptors. The compound's chemical properties make it suitable for formulation studies.
|
| Cell Assay |
In vitro cellular experiments with Vanillyl butyl ether are performed using sensory neuron cell lines or cells expressing TRP channels. Cells are cultured in appropriate media and treated with varying concentrations of the compound (typically 10-1000 μM) for varying durations. TRP channel activation is assessed by measuring intracellular calcium levels using fluorescent calcium indicators. Cell viability is assessed using MTT or LDH release assays. The compound's effects on neuronal excitability and sensory signaling may also be investigated. These experiments help characterize the compound's mechanism of action as a warming agent. Cells are maintained at 37°C in 5% CO₂ with appropriate media supplements.
|
| Animal Protocol |
In vivo animal studies with Vanillyl butyl ether are not typically performed for therapeutic development, as the compound is primarily a sensory agent and flavoring ingredient. However, studies may be conducted to evaluate its safety and sensory effects in animals. Topical application studies in rodents or other animals may assess skin temperature changes, local tolerance, and potential irritation. The compound's warming effects could be quantified using thermography or thermal probes. The compound is intended for use in cosmetics, personal care, and food products. Further toxicological studies may be required for regulatory approval of these applications.
|
| ADME/Pharmacokinetics |
Pharmacokinetic properties of Vanillyl butyl ether are not extensively characterized. The compound has molecular formula C₁₂H₁₈O₃ and molecular weight 210.27 g/mol. It appears as a colorless to pale yellow clear liquid with a boiling point of 241°C. Refractive index is n20/D 1.511-1.521. Flash point is >230°F. Solubility: soluble in organic solvents and oils, insoluble in water. Purity: ≥98.0%. As an oil-soluble compound, it is expected to have good skin penetration when applied topically. Storage: follow manufacturer's guidelines.
|
| Toxicity/Toxicokinetics |
Toxicological information for Vanillyl butyl ether indicates that it is generally recognized as safe for use as a flavoring agent in food and in cosmetics and personal care products at appropriate concentrations. The compound appears as a colorless to pale yellow clear liquid with a mild vanilla-like odor. It is an oil-soluble warming agent. Standard safety precautions for handling chemicals apply, including use of personal protective equipment (gloves, safety goggles, lab coat) and working in a well-ventilated area. The compound may cause skin or eye irritation at high concentrations. Purity: ≥98.0%.
|
| References | |
| Additional Infomation |
Vanillyl butyl ether is an ether compound of monohydroxybenzoic acid. It is added to food as a flavoring agent. It is also found in cosmetics and personal care products as a flavoring ingredient, oral care agent, hair conditioner, and warming or cooling agent.
See also: Peppermint oil; vanillyl butyl ether (one of the ingredients). Vanillyl butyl ether (CAS 82654-98-6) is an ether of monohydroxybenzoic acid and an oil-soluble warming agent. The compound has molecular formula C₁₂H₁₈O₃ and molecular weight 210.27 g/mol. It appears as a colorless to pale yellow clear liquid. Vanillyl butyl ether is added to food products as a flavoring agent and is present in cosmetics and personal care products. It induces an enduring and gentle warming sensation on the skin and is suitable for body slimming products, foot care products, and other partial warming products. Also known as vanillyl butyl ether (VBE), vanillyl butyl ether, 香兰基丁醚. Purity: ≥98.0%. |
| Molecular Formula |
C12H18O3
|
|---|---|
| Molecular Weight |
210.26952
|
| Exact Mass |
210.125
|
| CAS # |
82654-98-6
|
| PubChem CID |
5084146
|
| Appearance |
Colorless to light yellow liquid
|
| Density |
1.0±0.1 g/cm3
|
| Boiling Point |
307.9±27.0 °C at 760 mmHg
|
| Flash Point |
140.0±23.7 °C
|
| Vapour Pressure |
0.0±0.7 mmHg at 25°C
|
| Index of Refraction |
1.510
|
| LogP |
2.52
|
| Hydrogen Bond Donor Count |
1
|
| Hydrogen Bond Acceptor Count |
3
|
| Rotatable Bond Count |
6
|
| Heavy Atom Count |
15
|
| Complexity |
161
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
OC1C(OC)=CC(COCCCC)=CC=1
|
| InChi Key |
VLDFMKOUUQYFGF-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3
|
| Chemical Name |
4-(butoxymethyl)-2-methoxyphenol
|
| 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 (~475.58 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (11.89 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 (11.89 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 (11.89 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 | 4.7558 mL | 23.7790 mL | 47.5579 mL | |
| 5 mM | 0.9512 mL | 4.7558 mL | 9.5116 mL | |
| 10 mM | 0.4756 mL | 2.3779 mL | 4.7558 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
