Ethyl heptanoate (CAS 106-30-9) — Sweet Top Note Fragrance Ingredient
Ethyl heptanoate
CAS 106-30-9
What Is Ethyl heptanoate?
Ethyl heptanoate is a fruity ester commonly found in artificial flavorings and perfumes. You’ll encounter it in pineapple-flavored candies, tropical fruit fragrances, and some alcoholic beverages. This ingredient matters because it creates a natural-smelling fruitiness without using actual fruit extracts, making fragrances and flavors more consistent and shelf-stable.
Safety Profile
GENERALLY SAFEWhat Does Ethyl heptanoate Smell Like?
Ethyl heptanoate bursts with a bright, juicy pineapple top note that’s almost candy-like in its sweetness. Within minutes, it mellows into a rounded, wine-like fruitiness reminiscent of ripe banana and pear skins. The dry-down reveals a faint waxy undertone, like the white part of citrus peel, keeping the fragrance lively for hours without becoming cloying. Perfect for creating tropical fruit illusions that feel natural rather than synthetic.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the natural pineapple effect in the tropical cocktail accord, blending with lime and coconut for a photorealistic piña colada illusion.
Ethyl heptanoate forms the core of the hyper-realistic pineapple note, giving it a candied edge that lasts longer than natural pineapple extracts.
2D Molecular Structure
SMILES: CCCCCCC(=O)OCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl heptanoate belongs to the ester class, formed by the condensation of heptanoic acid with ethanol. Industrially produced via acid-catalyzed esterification, this achiral molecule is prized for its stability and consistent odor profile. Unlike some fruit esters that degrade quickly, its seven-carbon chain provides optimal volatility for fragrance use. The balanced molecular weight (158.24 g/mol) and moderate XLogP (2.7) make it versatile in both alcoholic and oil-based formulations.
Physical & Chemical Properties
| Boiling Point | 187-188 °C |
|---|---|
| Density | 0.867 g/cm³ |
| Refractive Index | 1.412-1.415 |
| Flash Point | 62 °C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fruity top note enhancer |
| Functional Fragrance | 1-3% | Up to 10% | Shampoos, detergents |
Classic Accords
Tip: Use with ethyl maltol to create a ‘caramelized pineapple’ effect that lasts into the heart notes.
Alternatives & Comparisons
More apple-like fruitiness with higher volatility; use when a lighter, quicker-evaporating pineapple note is needed.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards.
RIFM Assessment
Deemed safe for current fragrance use levels by RIFM.
Sustainability
Synthesized from petrochemical feedstocks, ethyl heptanoate offers consistent quality with minimal batch variation. While not bio-based, its efficient production results in lower carbon footprint than some natural fruit extracts that require agricultural inputs and cold-chain transportation.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781439817204
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 106-30-9Physical Properties
| Molecular Weight | 158.24 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.9🔬 PubChem |
| Boiling Point | 188 °C🔬 EPA CompTox |
| Vapor Pressure | 3.2028 mmHg @ 25°C📊 OPERA |
| Flash Point | 70.5 °C🔬 EPA CompTox |
| Involatility Index | 0.2744💻 Calculated |
| log Kp (skin permeability) | -1.606💻 Calculated |
| SMILES | CCCCCCC(=O)OCC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | fruity• leffingwell |
| Functional Groups | esterether💻 RDKit |
| “Powerful, fruity-wine-like, Brandy- and Berry-like odor with an oily-sharp undertone. Fruity and fermentation-winey taste, Brandy-Berry-like with a warm, somewhat sharp or acrid aftertaste, unless highly diluted.”📖 Arctander | |
| Ethyl heptanoate has a fruity odor reminiscent of cognac with a corresponding taste. It has been also reported to have a winy-brandy odor.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Powerful, fruity-wine-like, Brandy- and Berry-like odor with an oily-sharp undertone. Fruity and fermentation-winey taste, Brandy-Berry-like with a warm, somewhat sharp or acrid aftertaste, unless highly diluted. Very extensively used in flavor compositions for imitation Butter, Butterscotch, Apple,”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.073 ppm (n=13)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2437⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
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: DTXSID1040112
Physical Properties
| Molecular Weight | 158.241 g/mol🔬 EPA CompTox |
| Density | 0.869 g/cm^3🔬 EPA CTX |
| Boiling Point | 187.917 °C🔬 EPA CTX |
| Melting Point | -60.961 °C🔬 EPA CTX |
| Flash Point | 70.2 °C🔬 EPA CTX |
| Refractive Index | 1.418 Dimensionless📊 OPERA |
| Molar Volume | 180.578 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.2 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.2 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.2 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.45 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 2.143 mmHg🔬 EPA CTX |
| Viscosity | 1.147 cP📊 OPERA |
| Surface Tension | 27.023 dyn/cm📊 OPERA |
| Thermal Conductivity | 138.959 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 | 6 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 45.52 cm^3/mol📊 OPERA |
| Polarizability | 18.045 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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