Acetaldehyde ethyl hexyl acetal (CAS 54484-73-0) — Green Top Note Fragrance Ingredient
Acetaldehyde ethyl hexyl acetal
CAS 54484-73-0
What Is Acetaldehyde ethyl hexyl acetal?
Acetaldehyde ethyl hexyl acetal is a synthetic fragrance ingredient used to add fresh, green, and slightly floral nuances to perfumes and scented products. You’ll encounter it in air fresheners, fabric softeners, and some citrus-forward perfumes. This molecule matters because it provides a crisp, diffusive quality that helps brighten fragrance compositions without being overpowering.
Safety Profile
GENERALLY SAFEWhat Does Acetaldehyde ethyl hexyl acetal Smell Like?
Acetaldehyde ethyl hexyl acetal bursts with a vibrant green freshness reminiscent of crushed leaves and unripe citrus peel. The initial impression is sharply aldehydic, evolving into a watery cucumber-like coolness with subtle floral undertones. As it dries down, it reveals a clean, slightly ozonic character that lingers like morning dew on grass. The overall effect is airy and transparent, making it ideal for creating lift in fragrance compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the sparkling citrus top notes and create an airy, transparent quality that carries the floral heart.
Contributes to the fresh, aquatic character that defines this summer fragrance, blending seamlessly with citrus and woody notes.
2D Molecular Structure
SMILES: CCCCCCOC(C)OCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Acetaldehyde ethyl hexyl acetal belongs to the acetal class of fragrance compounds, formed through the reaction of acetaldehyde with 2-ethylhexanol. These acetals are valued for their stability compared to their aldehyde precursors. The synthesis typically involves acid-catalyzed condensation under controlled conditions to prevent polymerization. The resulting molecule features a branched alkyl group that contributes to its volatility and diffusion properties.
Physical & Chemical Properties
| Appearance | Colorless liquid |
|---|---|
| Odor Threshold | Low (high potency) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fresh top note component |
| Functional Fragrance | 1-3% | Up to 8% | Boosts clean, fresh character |
Classic Accords
Tip: Use in trace amounts to brighten citrus compositions without adding heaviness.
Alternatives & Comparisons
Provides similar freshness with more pronounced floral character when a fuller bouquet is desired.
Offers greener, more herbal qualities for compositions needing natural-appearing freshness.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
No specific RIFM assessment found for this material.
Sustainability
As a synthetic material, production avoids agricultural land use. The manufacturing process requires careful solvent management to minimize environmental impact. Being highly potent, it’s used in small quantities which reduces its overall footprint in fragrance formulations.
Explore Acetaldehyde ethyl hexyl acetal
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 54484-73-0Physical Properties
| Molecular Weight | 174.28 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.2🔬 PubChem |
| Boiling Point | 195 °C🔬 EPA CompTox |
| Vapor Pressure | 1.2023 mmHg @ 25°C📊 OPERA |
| Flash Point | 48.8 °C🔬 EPA CompTox |
| Involatility Index | 0.0982💻 Calculated |
| log Kp (skin permeability) | -1.491💻 Calculated |
| SMILES | CCCCCCOC(C)OCC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | alcoholicearthyetherealfloralgreen• leffingwell |
| Functional Groups | ether💻 RDKit |
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: DTXSID60866427
Physical Properties
| Molecular Weight | 174.284 g/mol🔬 EPA CompTox |
| Density | 0.843 g/cm^3📊 OPERA |
| Boiling Point | 197.529 °C📊 OPERA |
| Melting Point | -58.556 °C📊 OPERA |
| Flash Point | 58.179 °C📊 OPERA |
| Refractive Index | 1.416 Dimensionless📊 OPERA |
| Molar Volume | 206.704 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.193 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.193 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.193 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.01 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.671 mmHg📊 OPERA |
| Viscosity | 1.388 cP📊 OPERA |
| Surface Tension | 25.287 dyn/cm📊 OPERA |
| Thermal Conductivity | 133.124 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 18.46 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 8 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 51.827 cm^3/mol📊 OPERA |
| Polarizability | 20.546 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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