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Send EmailVanillyl Butyl Ether, Butyl Vanillyl Ether, VBE, 82654-98-6
Vanillyl Butyl Ether / 4-(Butoxymethyl)-2-methoxyphenol / Butyl Vanillyl Ether
CAS Number: 82654-98-6
FEMA Number: 3796
| Parameter | Detail |
|---|---|
| Product Name | Vanillyl Butyl Ether |
| Chemical Name (IUPAC) | 4-(Butoxymethyl)-2-methoxyphenol |
| Other Names | Vanil Butyl Ether, Butyl Vanillyl Ether, 2-Methoxy-4-(butoxymethyl)phenol, VBE |
| CAS Number | 82654-98-6 |
| EINECS Number | 209-753-1 |
| Molecular Type | Aromatic ether derivative |
| Molecular Formula | C₁₂H₁₈O₃ |
| Molecular Weight | 210.27 g/mol |
| MDL Number | MFCD00238529 |
| Appearance | Colorless to pale yellow liquid |
| Odor | Mild vanilla-like aroma, creamy vanilla notes |
Vanillyl Butyl Ether is an ether derivative of vanillyl alcohol and n-butanol. It is a synthetic sensory ingredient used in cosmetic and personal care products to provide a warming (thermogenic) effect. When applied to the skin, it activates TRPV1 (Vanilloid Receptor-1) channels, generating a sensation of warmth, which increases blood circulation and creates a soothing effect. It is widely used in cosmetics, personal care products, and topical pharmaceutical preparations.
| Type | Name |
|---|---|
| Common Names | Vanillyl Butyl Ether, Vanil Butyl Ether, Butyl Vanillyl Ether |
| Chemical Names | 4-(Butoxymethyl)-2-methoxyphenol, 2-Methoxy-4-(butoxymethyl)phenol |
| Abbreviations | VBE |
| FEMA Number | 3796 |
| CAS Number | 82654-98-6 |
| EINECS Number | 209-753-1 |
| HS Code | 2909.50.4050 |
Vanillyl Butyl Ether is a vanillin alcohol derivative containing a methoxy group (-OCH₃) and a butoxymethyl side chain (-CH₂-O-C₄H₉) on the phenolic ring.
Structural Formula:
OH
|
C
/ \
/ \
/ \
/ \
C C
| |
H C - H
| |
C - O - CH₂ - O - (CH₂)₃ - CH₃
| |
H C - H
| |
C C
| |
H O - CH₃
SMILES Notation:
CCCCOCC1=CC(OC)=C(O)C=C1
C₁₂H₁₈O₃
210.27 g/mol
| Feature | Description |
|---|---|
| Functional Groups | Phenolic hydroxyl (-OH), Methoxy (-OCH₃), Ether (-O-), Aromatic ring |
| Aroma Class | Vanilla, spicy |
| Chemical Class | Aromatic ether derivative |
| TRPV1 Activity | Activates TRPV1 receptor through vanilloid structure |
| Property | Value / Description |
|---|---|
| Appearance | Colorless to pale yellow liquid |
| Odor | Mild vanilla-like, creamy vanilla aroma |
| Molecular Weight | 210.27 g/mol |
| Boiling Point | 241 °C |
| Density (25°C) | 1.057 g/mL |
| Refractive Index | n²⁰/D 1.516 (literature) |
| Flash Point | >230 °F (>110 °C) |
| Vapor Pressure | 0.42-2000 Pa (20-25°C) |
| LogP | 2.2-2.4 (23-25°C) |
| Water Solubility | ~1.79-1690 mg/L (20°C) |
| Solubility | Soluble in oils and organic solvents; insoluble in water |
| Stability | Sensitive to oxidation; should be stored under inert atmosphere |
| Solvent | Solubility | Conditions |
|---|---|---|
| Water | Insoluble | 20°C |
| Vegetable Oils | Soluble | 25°C |
| Ethanol | Soluble | 25°C |
| Organic Solvents | Soluble | 25°C |
| Property | Description |
|---|---|
| Chemical Character | Weakly acidic (phenolic OH group) |
| Oxidation | Sensitive to oxidation in air; inert atmosphere recommended |
| Heat Sensitivity | May decompose at high temperatures |
| Incompatible Materials | Strong oxidizers, strong bases |
| Parameter | Description |
|---|---|
| TRPV1 Activation | Vanillyl Butyl Ether activates TRPV1 (Vanilloid Receptor-1) channels due to its vanilloid structure. These receptors are ion channels that respond to stimuli such as high temperature and acidic pH. |
| Neuronal Activation | Receptor activation leads to the release of glutamate, ATP, and various neuropeptides from neurons. |
| Warm Sensation | This process creates a long-lasting and mild warmth sensation on the skin. |
| Blood Circulation | The thermogenic effect increases blood circulation in the application area. |
| Application | Description | Typical Usage Rate |
|---|---|---|
| Massage Creams | Provides muscle-relaxing and soothing warmth sensation | 1 – 5% |
| Sports Gels | Warming effect for pre- and post-exercise use | 1 – 5% |
| Warming Lotions | Used in body warmers and slimming products | 1 – 5% |
| Foot Care Products | Warming and soothing foot creams | 1 – 5% |
| Hair Care Products | Provides sensory effect on the scalp | 0.5 – 2% |
| Application | Description |
|---|---|
| Heating Ointments | Topical preparations that provide warmth sensation for muscle and joint pain |
| Pain Relief Gels | Mild analgesic and soothing effect |
| Veterinary Products | Anti-emetic dietary compositions for pets |
| Application | Description |
|---|---|
| Food Flavor (FEMA 3796) | Provides heating and spicy taste notes in baked goods, confectionery, beverages, chocolate, tea, and mint products |
| Taste Masking | Provides warming sensation in the mouth and masks unwanted tastes |
| Application | Description |
|---|---|
| Weight Management | Supports metabolism by increasing body temperature in slimming products |
| Oral Care | Oral care formulations that provide a warm sensation in the mouth |
| Substance / Environment | Compatibility | Description |
|---|---|---|
| Water | INCOMPATIBLE | Insoluble; requires emulsification. |
| Oils | COMPATIBLE | Easily miscible. |
| Ethanol | COMPATIBLE | Soluble. |
| Oxidizers | INCOMPATIBLE | May cause degradation. |
| Air / Oxygen | LIMITED | Sensitive to oxidation; inert atmosphere recommended. |
| Light | LIMITED | UV light may accelerate degradation. |
| Heat | LIMITED | May decompose at high temperatures. |
| Parameter | Value |
|---|---|
| Acute Oral Toxicity | Low toxicity |
| Skin Irritation | May be irritating at high concentrations |
| Skin Sensitizer | Weak skin sensitizer; NESIL value 3500 μg/cm² |
| Eye Irritation | Causes serious eye irritation (H319) |
| Genotoxicity | Negative |
| Phototoxicity | Negative |
| Photosensitization | Negative |
| Bioaccumulation | Low; not PBT (Persistent, Bioaccumulative, Toxic) |
| Environmental Risk | PEC/PNEC ratio <1 (safe under current use) |
GHS Classification:
| Hazard Class | Category | H-Statement |
|---|---|---|
| Eye Irritation | Category 2 | H319 |
| Skin Sensitizer | Category 1 | H317 |
| Aquatic Toxicity | Category 3 | H412 (in some notifications) |
Signal Word: WARNING
Hazard Pictograms: GHS07 (Exclamation Mark)
Hazard Statements (H-Codes):
| Code | Statement |
|---|---|
| H317 | May cause an allergic skin reaction. |
| H319 | Causes serious eye irritation. |
| H412 | Harmful to aquatic life with long-lasting effects. |
| Code | Statement |
|---|---|
| P261 | Avoid breathing dust/fume/gas/mist/vapors/spray. |
| P264 | Wash hands thoroughly after handling. |
| P272 | Contaminated work clothing should not be allowed out of the workplace. |
| P280 | Wear protective gloves/protective clothing/eye protection/face protection. |
| P302+P352 | IF ON SKIN: Wash with plenty of soap and water. |
| P305+P351+P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses if present. |
| P333+P313 | If skin irritation or rash occurs: Get medical advice/attention. |
| P337+P313 | If eye irritation persists: Get medical advice/attention. |
| P362+P364 | Take off contaminated clothing and wash it before reuse. |
| P501 | Dispose of contents/container in accordance with local regulations. |
| Route of Exposure | Action to Be Taken |
|---|---|
| Inhalation | Move to fresh air. If breathing difficulty occurs, seek medical attention. |
| Skin Contact | Wash with plenty of soap and water. Remove contaminated clothing. If irritation or rash occurs, seek medical attention. |
| Eye Contact | Rinse thoroughly with plenty of water for at least 15 minutes. Remove contact lenses. Seek medical attention. |
| Ingestion | Rinse mouth with water. Do not induce vomiting. Seek immediate medical attention. |
| Parameter | Information |
|---|---|
| Fire Hazard | Flammable liquid (Storage Class 10) |
| Suitable Extinguishing Media | Dry chemical powder, CO₂, alcohol-resistant foam, water spray. |
| Hazards During Fire | Thermal decomposition produces carbon monoxide, carbon dioxide, and toxic fumes. |
| Special Protective Equipment | Self-contained breathing apparatus (SCBA), full protective clothing. |
| Parameter | Information |
|---|---|
| Personal Protection | Protective gloves, goggles, protective clothing. |
| Ventilation | Increase ventilation; use local exhaust in confined spaces. |
| Containment | Cover spilled area with inert material (sand, vermiculite). |
| Cleaning Methods | Collect with inert absorbent material and place in appropriate waste container. |
| Environmental Precautions | Prevent entry into drains, sewers, and water bodies. |
| Parameter | Information |
|---|---|
| Storage Conditions | Store in a cool (below 15°C recommended), dry, and well-ventilated area; protect from light. |
| Container Requirements | Tightly closed, under inert atmosphere (nitrogen), in airtight containers. |
| Materials to Avoid | Light, oxygen, heat, strong oxidizers. |
| Shelf Life | 24 months (under proper storage conditions). |
| Packaging Options | 1 kg, 5 kg, 25 kg (dark-colored glass or aluminum containers). |
| Parameter | Information |
|---|---|
| UN Number | Not applicable (not classified as dangerous goods). |
| Hazard Class | Not classified as hazardous for transport. |
| Packing Group | Not applicable. |
| ADR/RID | Not classified as dangerous goods. |
| IMDG Code | Not classified as dangerous goods. |
| IATA (Air) | Not classified as dangerous goods. |
| Transport Temperature | Ambient temperature; protect from light and oxygen. |
| Region / Authority | Status |
|---|---|
| European Union | Approved as cosmetic ingredient (EU 1223/2009). |
| FDA | Approved for use as food additive (FDA 21 CFR 117). |
| IFRA | Can be used in accordance with usage guidelines. |
| JECFA | Meets purity specifications (JECFA No: 888). |
| REACH | Actively registered. |
| TSCA | Listed. |
| Halal / Kosher | May be certified upon request. |
| Sector | Suitability | Description |
|---|---|---|
| Cosmetics | HIGH | Massage creams, sports gels, warming lotions, hair care. |
| Personal Care | HIGH | Thermal effect formulations, foot care products. |
| Pharmaceuticals | MEDIUM | Topical heating ointments, pain relief gels. |
| Food Flavor | HIGH | Baked goods, confectionery, beverages, chocolate, tea. |
| Veterinary | LOW | Pet dietary compositions. |
| Property | Value |
|---|---|
| CAS Number | 82654-98-6 |
| Molecular Formula | C₁₂H₁₈O₃ |
| Molecular Weight | 210.27 g/mol |
| Appearance | Colorless to pale yellow liquid |
| Odor | Mild vanilla-like |
| Boiling Point | 241 °C |
| Density (25°C) | 1.057 g/mL |
| Refractive Index | 1.516 |
| Flash Point | >230 °F (>110 °C) |
| Solubility | Soluble in oils; insoluble in water |
| Main Uses | Cosmetics (warming effect), food flavor, topical preparations |
| Shelf Life | 24 months |
| GHS | Warning (H317, H319) |
| UN Number | Not applicable |
CRITICAL NOTICES:
External Use Only: Vanillyl Butyl Ether is for external (topical) use only. Should not be taken orally.
Eye and Mucous Membrane Contact: Avoid contact with eyes and mucous membranes. In case of contact, rinse thoroughly with water and seek medical attention.
Skin Sensitization Potential: May cause an allergic skin reaction (H317). Patch testing is recommended for individuals with sensitive skin.
Irritation at High Concentrations: May cause skin irritation at high concentrations. Recommended usage rates (1-5%) should be followed.
Facial and Eye Area Products: Should not be used in products applied to the face, eye area, or other sensitive body areas.
Oxidation Sensitivity: Sensitive to oxidation; should be stored under inert atmosphere and protected from light.
TRPV1 Mechanism: Due to its vanilloid structure, it activates TRPV1 receptors to generate warmth sensation; this mechanism is similar to capsaicin.
BEST PRACTICE RECOMMENDATIONS:
Storage: Store in a cool (below 15°C), dry, and well-ventilated area, under inert atmosphere (nitrogen), in airtight containers. Protect from light.
Personnel Protection: Use protective gloves, goggles, and appropriate work clothing.
Formulation: Suitable for use in emulsions, creams, and gels. Dissolve in oil phase. Recommended starting concentration is 1-5%.
Dosage Control: Do not use in facial and eye area products. Start with low concentrations in sensitive areas.
Quality Control: Monitor peroxide value to check for oxidation products.
Waste Management: Dispose of waste in accordance with local regulations. Do not pour down drains.
LEGAL DISCLAIMER:
The information provided in this document is based on our current knowledge and experience and is presented in good faith; however, as all conditions of use are beyond our control, it does not constitute a binding specification or warranty. This Technical Data Sheet is for informational purposes only. Users are obligated to test the suitability of the product for their own applications. For complete safety, storage, handling, transport, waste, and regulatory compliance information, the official Safety Data Sheet (SDS/MSDS) provided by the manufacturer/supplier must be consulted.