Ethyl octanoate (CAS 106-32-1) — Sweet Top Note Fragrance Ingredient
Ethyl octanoate
CAS 106-32-1
What Is Ethyl octanoate?
Ethyl octanoate is a fruity ester commonly found in perfumes and food flavorings. It’s known for its sweet, wine-like aroma with hints of pineapple and pear. This ingredient matters because it adds a natural, juicy quality to fragrances, making them more vibrant and appealing.
Safety Profile
GENERALLY SAFEWhat Does Ethyl octanoate Smell Like?
Ethyl octanoate bursts with a bright, fruity top note reminiscent of ripe pineapple and juicy pear. The heart evolves into a sweet, wine-like aroma with a subtle floral undertone. The dry-down is clean and slightly fatty, leaving a fresh, slightly tropical impression.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used for its vibrant pineapple top note, enhancing the fruity freshness and adding a juicy, tropical allure.
Adds a sweet, fruity dimension to the pineapple note, creating a more natural and rounded aroma.
2D Molecular Structure
SMILES: CCCCCCCC(=O)OCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl octanoate is an ester formed from ethanol and octanoic acid. It is commonly synthesized via esterification reactions. This compound is widely used in both perfumery and food flavoring due to its pleasant fruity aroma.
Physical & Chemical Properties
| Boiling Point | 208 °C |
|---|---|
| Density | 0.865 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds fruity top notes |
| Food Flavoring | 0.1-1% | Up to 2% | Enhances fruity flavors |
Classic Accords
Tip: Use in small amounts to avoid overpowering the fragrance.
Alternatives & Comparisons
Similar fruity aroma but with a more apple-like character.
Longer-lasting fruity note with a fatty undertone.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA standards.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
Considered safe for use in fragrances by RIFM.
Sustainability
Ethyl octanoate is typically synthesized from renewable resources. Its production has minimal environmental impact when properly managed.
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References
- PubChem: Ethyl octanoate PubChem CID 7799
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 106-32-1Physical Properties
| Molecular Weight | 172.26 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.5🔬 PubChem |
| Boiling Point | 206 °C🔬 EPA CompTox |
| Vapor Pressure | 0.8251 mmHg @ 25°C📊 OPERA |
| Flash Point | 82 °C🔬 EPA CompTox |
| Involatility Index | 0.0678💻 Calculated |
| log Kp (skin permeability) | -1.266💻 Calculated |
| SMILES | CCCCCCCC(=O)OCC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | fruitysweet• leffingwell |
| Functional Groups | esterether💻 RDKit |
| “Fruity-winey, sweet odor, reminiscent of Apricot, Banana and Pineapple with a "fermented"-winey note.”📖 Arctander | |
| Ethyl octanoate has a pleasant, fruity, floral odor (wine-apricot note).📖 Fenaroli | |
Flavor Notes (Arctander)
| “Sweet-winey-brandy-like taste with a distinct fruity note. It finds extensive use in flavor compositions for imitation Apricot, Apple, Brandy, Butter, Citrus fruits, Cheese, Grape, Nut, Pear, Pine-apple, Rum, Strawberry, Banana, etc.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.3974 ppm (n=10)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2449⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| IOFI Classification | Nature Identical📖 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: DTXSID8051542
Physical Properties
| Molecular Weight | 172.268 g/mol🔬 EPA CompTox |
| Density | 0.868 g/cm^3🔬 EPA CTX |
| Boiling Point | 207.64 °C🔬 EPA CTX |
| Melting Point | -45.088 °C🔬 EPA CTX |
| Flash Point | 78.86 °C🔬 EPA CTX |
| Refractive Index | 1.423 Dimensionless📊 OPERA |
| Molar Volume | 197.085 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.47 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.887 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.887 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.06 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0.001 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.72 mmHg🔬 EPA CTX |
| Viscosity | 1.557 cP📊 OPERA |
| Surface Tension | 27.558 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.702 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 7 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 50.152 cm^3/mol📊 OPERA |
| Polarizability | 19.882 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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