Ethyl 2-ethylhexanoate (CAS 2983-37-1) — Sweet Top Note Fragrance Ingredient
Ethyl 2-ethylhexanoate
CAS 2983-37-1
What Is Ethyl 2-ethylhexanoate?
Ethyl 2-ethylhexanoate is a synthetic ester used in fragrances to create fruity, pineapple-like notes. It’s found in air fresheners, personal care products, and some food flavorings. This ingredient matters because it adds a bright, tropical dimension to scents without relying on natural extracts, making fragrances more affordable and consistent.
Safety Profile
GENERALLY SAFEWhat Does Ethyl 2-ethylhexanoate Smell Like?
Ethyl 2-ethylhexanoate bursts with a juicy, tropical fruitiness reminiscent of freshly cut pineapple and ripe guava. The initial impression is sweet and slightly green, like the first bite of a just-ripe tropical fruit. As it evolves, it reveals a subtle undercurrent of fermented fruit notes, adding complexity. The dry-down is clean and slightly waxy, leaving a faint impression of fruit salad left in the sun.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to create the photorealistic pineapple top note that defines this tropical gourmand fragrance.
Contributes to the bright fruity opening that complements the birch tar smokiness in this modern classic.
Adds a sun-drenched tropical fruit nuance to the solar floral composition.
2D Molecular Structure
SMILES: CCCCC(CC)C(=O)OCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl 2-ethylhexanoate is an ester formed from ethanol and 2-ethylhexanoic acid. It belongs to the class of fatty acid esters commonly used in fragrance and flavor applications. Industrially, it’s produced through esterification reactions catalyzed by acid. The branched ethylhexanoate chain gives it different volatility and odor characteristics compared to straight-chain esters.
Physical & Chemical Properties
| Boiling Point | 198 °C |
|---|---|
| Flash Point | 75 °C |
| Density | 0.87 g/cm³ |
| Refractive Index | 1.415 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-3% | Up to 5% | Used for fruity top notes |
| Functional Fragrance | 1-5% | Up to 10% | In air fresheners and detergents |
| Flavor | 0.01-0.1% | Up to 0.5% | For tropical fruit flavors |
Classic Accords
Tip: Use with citrus oils to enhance fruity character or with woody notes to create tropical woody accords.
Alternatives & Comparisons
For a more straightforward fruity note without the tropical complexity.
When a stronger, more pungent pineapple note is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
Considered safe for current use levels by RIFM.
Sustainability
As a synthetic material, Ethyl 2-ethylhexanoate has consistent quality and doesn’t rely on agricultural production. The manufacturing process is energy intensive but produces consistent yields without seasonal variations.
Explore Ethyl 2-ethylhexanoate
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
- PubChem Compound Summary for Ethyl 2-ethylhexanoate PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 2983-37-1Physical Properties
| Molecular Weight | 172.26 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.3🔬 PubChem |
| Boiling Point | 81 °C🔬 EPA CompTox |
| Vapor Pressure | 0.9751 mmHg @ 25°C📊 OPERA |
| Flash Point | 65 °C🔬 EPA CompTox |
| Involatility Index | 0.0801💻 Calculated |
| log Kp (skin permeability) | -1.408💻 Calculated |
| SMILES | CCCCC(CC)C(=O)OCC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | fattyfruityherbalwoody• leffingwell |
| Functional Groups | esterether💻 RDKit |
Sensory Thresholds
| Odor Detection Threshold | 0.05 ppm📖 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: DTXSID40863070
Physical Properties
| Molecular Weight | 172.268 g/mol🔬 EPA CompTox |
| Density | 0.861 g/cm^3🔬 EPA CTX |
| Boiling Point | 192.5 °C🔬 EPA CTX |
| Melting Point | -55.409 °C📊 OPERA |
| Flash Point | 65 °C🔬 EPA CTX |
| Refractive Index | 1.421 Dimensionless📊 OPERA |
| Molar Volume | 197.462 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.9 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.84 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.84 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.97 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.765 mmHg🔬 EPA CTX |
| Viscosity | 1.267 cP📊 OPERA |
| Surface Tension | 26.428 dyn/cm📊 OPERA |
| Thermal Conductivity | 133.26 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 | 50.111 cm^3/mol📊 OPERA |
| Polarizability | 19.866 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.
