Ethyl 3-hydroxybutyrate (CAS 5405-41-4) — Sweet Top to Middle Note Fragrance Ingredient
Ethyl 3-hydroxybutyrate
CAS 5405-41-4
What Is Ethyl 3-hydroxybutyrate?
Ethyl 3-hydroxybutyrate is a synthetic fragrance ingredient used in perfumes and flavored products. It has a fruity, slightly woody aroma that enhances complexity in fragrance compositions. Consumers encounter it in fine fragrances, body care products, and some food flavorings. This ester is valued for its ability to add a subtle, sweet depth that bridges top and middle notes, making fragrances more harmonious.
Safety Profile
GENERALLY SAFEWhat Does Ethyl 3-hydroxybutyrate Smell Like?
Ethyl 3-hydroxybutyrate opens with a bright, fruity burst reminiscent of overripe strawberries and pineapple. As it settles, a creamy, lactonic quality emerges, like warm butter drizzled with honey. The dry-down reveals a soft woody undertone, akin to sun-warmed cedar shavings. This evolution makes it exceptional for adding a subtle gourmand touch without overwhelming sweetness.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the fruity floralcy, adding a subtle lactonic warmth that bridges the quince and jasmine notes.
Provides a creamy undercurrent to the bright pear and melon top notes, adding depth without heaviness.
2D Molecular Structure
SMILES: CCOC(=O)CC(C)O
Chemistry, Properties & Perfumer Guide
The Chemistry
Ethyl 3-hydroxybutyrate is an ester formed from ethanol and 3-hydroxybutyric acid. It is typically synthesized via esterification under acidic conditions. The compound’s chiral center at the 3-position can influence its olfactory properties, with the (R)-enantiomer often being more desirable for its fruity character. This ester is part of a broader class of hydroxy esters that contribute to creamy, fruity nuances in fragrances.
Physical & Chemical Properties
| Boiling Point | 198 °C |
|---|---|
| Density | 1.02 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds fruity creaminess |
| Body Care | 0.5-2% | Up to 3% | Enhances product appeal |
Classic Accords
Tip: Use in trace amounts to enhance fruity notes without adding noticeable sweetness.
Alternatives & Comparisons
More intense fruity character, better for punchier tropical effects.
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 in EU allergen regulation.
RIFM Assessment
Considered safe for use in current applications by RIFM.
Sustainability
As a synthetic material, Ethyl 3-hydroxybutyrate has minimal environmental impact when produced responsibly. Its efficient synthesis from petrochemical precursors allows for consistent quality and reduces agricultural land use compared to some natural alternatives.
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References
- PubChem: Ethyl 3-hydroxybutyrate CID 5405-41-4
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID6025305
Physical Properties
| Molecular Weight | 132.159 g/mol🔬 EPA CompTox |
| Density | 1.014 g/cm^3🔬 EPA CTX |
| Boiling Point | 174.375 °C🔬 EPA CTX |
| Melting Point | -44.427 °C📊 OPERA |
| Flash Point | 64.198 °C🔬 EPA CTX |
| Refractive Index | 1.427 Dimensionless📊 OPERA |
| Molar Volume | 128.941 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.284 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 0.284 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.279 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.91 Log10 unitless📊 OPERA |
| Water Solubility | 7.567 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.454 mmHg📊 OPERA |
| Viscosity | 2.856 cP📊 OPERA |
| Surface Tension | 31.163 dyn/cm📊 OPERA |
| Thermal Conductivity | 154.094 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 | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 33.114 cm^3/mol📊 OPERA |
| Polarizability | 13.128 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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