Methyl vanillate (CAS 3943-74-6) — Sweet Heart to Base Note Fragrance Ingredient
Methyl vanillate
CAS 3943-74-6
What Is Methyl vanillate?
Methyl vanillate is a synthetic aroma chemical that mimics the sweet, creamy aspects of vanilla with a marshmallow-like quality. You’ll encounter it in gourmand perfumes, candles, and some food flavorings. This versatile ingredient bridges sweet and woody accords, offering perfumers a more stable vanilla alternative that doesn’t overpower compositions. Its subtle powdery character makes it ideal for creating comforting, familiar scents.
Safety Profile
GENERALLY SAFEWhat Does Methyl vanillate Smell Like?
Methyl vanillate opens with a soft, powdery vanilla sweetness reminiscent of freshly baked sugar cookies. The heart reveals a creamy marshmallow character with subtle woody undertones, like vanilla pods aging in an oak barrel. As it dries down, it maintains remarkable tenacity for a vanilla derivative, leaving a comforting trail that’s less cloying than pure vanillin. The dryout shows a delicate balance between gourmand sweetness and clean muskiness, making it invaluable for modern oriental and woody fragrances.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to soften the tobacco-leather core with a gourmand vanilla nuance, balancing the fragrance’s aggressive name with unexpected warmth.
Provides the creamy coffee companion note that makes this oriental gourmand so addictive, blending seamlessly with the white flowers.
Works alongside vanillin to create depth in the vanilla accord, preventing the sweetness from becoming one-dimensional against the tobacco leaf.
2D Molecular Structure
SMILES: COC(=O)C1=CC(OC)=C(O)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl vanillate is the methyl ester of vanillic acid, structurally related to both vanillin and benzoic acid derivatives. Industrially produced through esterification of vanillic acid with methanol, it shares the phenolic hydroxyl group that contributes to vanilla’s characteristic scent. The ester linkage increases stability compared to vanillin, reducing oxidation issues in formulations. Unlike vanillin, it lacks the aldehyde group that can cause discoloration in products.
Physical & Chemical Properties
| Appearance | White crystalline powder |
|---|---|
| Melting Point | 82-85 °C |
| Solubility | Soluble in alcohol, slightly in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Gourmand and oriental bases |
| Home Fragrance | 0.5-2% | Up to 3% | Candle wax compatibility |
| Personal Care | 0.1-0.5% | Up to 1% | Subtle scent enhancement |
Classic Accords
Tip: Use with ionones to create a ‘vanilla blossom’ effect without overpowering floral notes.
Alternatives & Comparisons
For stronger vanilla impact with more sweetness, though less powdery nuance and higher risk of discoloration.
When warmer, spicier vanilla effects are needed with longer persistence on skin.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under current IFRA standards (Amendment 49).
RIFM Assessment
RIFM assessment confirms safe use at current industry levels with no significant sensitization potential.
Sustainability
As a synthetic material, methyl vanillate reduces pressure on natural vanilla supplies while offering consistent quality. Production typically uses petrochemical precursors, though some manufacturers are exploring bio-based routes using ferulic acid from rice bran. Its stability reduces waste from oxidation compared to natural vanilla extracts.
Explore Methyl vanillate
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090869
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 3943-74-6Physical Properties
| Molecular Weight | 182.17 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.8🔬 PubChem |
| Boiling Point | 286 °C🔬 EPA CompTox |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| Flash Point | 120.2 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.533💻 Calculated |
| SMILES | COC1=C(C=CC(=C1)C(=O)OC)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 7.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralfreshgreenspicysweetvanilla• leffingwell |
| Functional Groups | esterphenoletheraromatic💻 RDKit |
Sensory Thresholds
| Odor Detection Threshold | 4.8586 ppm (n=6)📖 van Gemert |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID5074345
Physical Properties
| Molecular Weight | 182.175 g/mol🔬 EPA CompTox |
| Density | 1.184 g/cm^3📊 OPERA |
| Boiling Point | 286 °C🔬 EPA CTX |
| Melting Point | 64.214 °C🔬 EPA CTX |
| Flash Point | 120.3 °C🔬 EPA CTX |
| Refractive Index | 1.534 Dimensionless📊 OPERA |
| Molar Volume | 149.758 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.616 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.611 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.363 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.75 Log10 unitless📊 OPERA |
| Water Solubility | 0.019 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 OPERA |
| Viscosity | 9.901 cP📊 OPERA |
| Surface Tension | 41.117 dyn/cm📊 OPERA |
| Thermal Conductivity | 154.554 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 55.76 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 4 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 46.586 cm^3/mol📊 OPERA |
| Polarizability | 18.468 Å^3📊 OPERA |
Data Sources:
🔬 EPA Experimental data from U.S. EPA CompTox Chemicals Dashboard & CTX APIs. 📊 OPERA Predicted using EPA's OPERA QSAR models. 💻 Computed Calculated from SMILES using RDKit.
![9,10-Anthracenedione, 1,4-bis[(4-methylphenyl)amino]- (CAS 128-80-3) — Citrus N/A Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/9-10-anthracenedione-1-4-bis-1-5-768x439.webp)
