Ethyl vanillin propylene glycol acetal (CAS 68527-76-4) — Sweet Middle to base Note Fragrance Ingredient
Ethyl vanillin propylene glycol acetal
CAS 68527-76-4
What Is Ethyl vanillin propylene glycol acetal?
Ethyl vanillin propylene glycol acetal is a synthetic fragrance ingredient used to enhance vanilla and creamy notes in perfumes, candles, and food flavorings. It’s commonly found in gourmand and oriental fragrances, adding a warm, sweet depth. This material matters because it provides superior stability compared to natural vanillin, maintaining its scent profile longer in products exposed to heat or light. It’s particularly valued for creating long-lasting vanilla accords that don’t fade quickly.
Safety Profile
GENERALLY SAFEWhat Does Ethyl vanillin propylene glycol acetal Smell Like?
Ethyl vanillin propylene glycol acetal opens with a rich, boozy vanilla note reminiscent of vanilla extract in rum, with a subtle caramelized sugar facet. As it develops, the scent becomes creamier, like vanilla custard with a whisper of powdery heliotrope. The dry-down reveals a smooth, slightly woody vanilla that lingers close to the skin. Compared to regular vanillin, it has less sharpness and more rounded, gourmand character with exceptional tenacity.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to create the long-lasting vanilla base that complements the spicy tobacco accord, providing sweetness without becoming cloying.
Contributes to the addictive gourmand quality, blending with coffee and white flowers for a modern oriental vanilla.
Enhances the praline and iris accord with a persistent vanilla sweetness that defines the fragrance’s signature.
2D Molecular Structure
SMILES: CCOC1=CC(=CC=C1O)C1OCC(C)O1
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl vanillin propylene glycol acetal is a synthetic aromatic compound derived from vanillin. It’s created through the acetalization of ethyl vanillin with propylene glycol, which improves its stability and modifies its olfactive properties. This chemical modification increases molecular weight and reduces volatility compared to vanillin, resulting in better performance in fragrance applications. The acetal group makes it more resistant to oxidation and pH changes, making it particularly useful in soaps and detergents where regular vanillin would discolor.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | >200 °C (estimated) |
| Density | ~1.1 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Base note in oriental and gourmand compositions |
| Home Care | 0.5-1.5% | Up to 2% | Provides stable vanilla notes in detergents |
| Candles | 2-4% | Up to 6% | Heat-stable vanilla character |
Classic Accords
Tip: Use to replace vanillin when longer lasting power and better stability are needed, particularly in alkaline formulations.
Alternatives & Comparisons
More intense but less stable vanilla note, useful when sharper top notes are desired.
Softer, more powdery vanilla character without the ethyl group’s intensity.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards (as of 49th Amendment).
RIFM Assessment
RIFM has evaluated this material and found it safe for current fragrance use levels.
Sustainability
As a synthetic material, ethyl vanillin propylene glycol acetal doesn’t require vanilla bean cultivation, reducing pressure on natural resources. Its production from petrochemical precursors follows standard industrial processes. The improved stability means less material is needed over time compared to natural vanillin, potentially reducing environmental load.
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
- IFRA Standards Library (2023). 49th Amendment. IFRA
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 68527-76-4Physical Properties
| Molecular Weight | 224.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.7🔬 PubChem |
| Boiling Point | 160 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.861💻 Calculated |
| SMILES | CCOC1=C(C=CC(=C1)C2OCC(O2)C)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | sweet• leffingwell |
| Functional Groups | phenoletheraromatic💻 RDKit |
| Ethyl vanillin propylene glycol acetal has a vanilla-like odor.📖 Fenaroli | |
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: DTXSID70867662
Physical Properties
| Molecular Weight | 224.256 g/mol🔬 EPA CompTox |
| Density | 1.149 g/cm^3📊 OPERA |
| Boiling Point | 316.978 °C📊 OPERA |
| Melting Point | 68.918 °C📊 OPERA |
| Flash Point | 153.113 °C📊 OPERA |
| Refractive Index | 1.525 Dimensionless📊 OPERA |
| Molar Volume | 193.917 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.795 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.75 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.154 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.99 Log10 unitless📊 OPERA |
| Water Solubility | 0.007 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 21.476 cP📊 OPERA |
| Surface Tension | 41.687 dyn/cm📊 OPERA |
| Thermal Conductivity | 139.087 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 47.92 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 4 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 59.391 cm^3/mol📊 OPERA |
| Polarizability | 23.544 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.
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