Ethyl 3-hydroxyhexanoate (CAS 2305-25-1) — Sweet Top Note Fragrance Ingredient
Ethyl 3-hydroxyhexanoate
CAS 2305-25-1
What Is Ethyl 3-hydroxyhexanoate?
Ethyl 3-hydroxyhexanoate is a synthetic ester used in perfumery for its fruity, tropical aroma. It’s commonly found in fragrances aiming for a juicy, exotic character. This ingredient matters because it adds a modern, vibrant twist to fruity and floral compositions, making scents feel more dynamic and contemporary.
Safety Profile
GENERALLY SAFEWhat Does Ethyl 3-hydroxyhexanoate Smell Like?
Ethyl 3-hydroxyhexanoate bursts with a luscious, tropical fruitiness reminiscent of ripe pineapple and passionfruit. The initial impression is juicy and slightly green, evolving into a smoother, sweeter heart with hints of coconut. Over time, it settles into a soft, creamy base that lingers subtly. Perfect for adding a modern, exotic twist to any composition.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the pineapple and coconut accord, creating a sun-drenched, beachy feel.
Adds a modern, vibrant fruitiness that makes the mango and papaya notes pop.
2D Molecular Structure
SMILES: CCCC(O)CC(=O)OCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl 3-hydroxyhexanoate is a synthetic ester derived from the reaction of ethanol and 3-hydroxyhexanoic acid. Its molecular structure features a six-carbon chain with a hydroxyl group at the third position, contributing to its fruity aroma. This compound is typically produced through esterification processes in controlled laboratory settings.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Adds fruity vibrancy |
| Body Care | 1-3% | Up to 5% | Enhances tropical notes |
Classic Accords
Tip: Use in fruity or tropical compositions to add a juicy, modern twist.
Alternatives & Comparisons
Offers a similar fruity profile but with more apple-like characteristics.
Provides a stronger, more straightforward fruity note without the tropical nuances.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA standards.
RIFM Assessment
Considered safe for use in fragrances by RIFM.
Sustainability
Ethyl 3-hydroxyhexanoate is synthesized in laboratories, reducing reliance on natural resources. Its production can be optimized for minimal environmental impact through green chemistry practices.
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References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 2305-25-1Physical Properties
| Molecular Weight | 160.21 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1🔬 PubChem |
| Boiling Point | 101 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.967💻 Calculated |
| SMILES | CCCC(CC(=O)OCC)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Primary Descriptors | citrusfreshfruitygrapegreen• leffingwell |
| Functional Groups | esteralcoholether💻 RDKit |
| “CH$CHg)2- CH–CH2–COO-CaH5 Powerful, fresh-fruity-oily, siightly green AH odor. in general in novel fragrance tyxs for house- Methylcthylglycollic acid, Ethylester. freshing odor of moderate to poor tenacity. herbaceous fragrances, including Lavender/ Lavandin, Clary Sage, etc.”📖 Arctander | |
| Ethyl 3-hydroxyhexanoate has a fruity odor.📖 Fenaroli | |
Sensory Thresholds
| Odor Detection Threshold | 0.0451 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: DTXSID10862898
Physical Properties
| Molecular Weight | 160.213 g/mol🔬 EPA CompTox |
| Density | 0.983 g/cm^3📊 OPERA |
| Boiling Point | 229.369 °C📊 OPERA |
| Melting Point | -24.375 °C📊 OPERA |
| Flash Point | 89.482 °C📊 OPERA |
| Refractive Index | 1.436 Dimensionless📊 OPERA |
| Molar Volume | 161.954 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.486 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.486 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.486 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.43 Log10 unitless📊 OPERA |
| Water Solubility | 0.123 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.023 mmHg📊 OPERA |
| Viscosity | 4.289 cP📊 OPERA |
| Surface Tension | 32.509 dyn/cm📊 OPERA |
| Thermal Conductivity | 149.566 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 46.53 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 42.38 cm^3/mol📊 OPERA |
| Polarizability | 16.801 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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