3-Hexyldihydrofuran-2(3H)-one (CAS 18436-37-8) — Sweet Heart Note Fragrance Ingredient
3-Hexyldihydrofuran-2(3H)-one
CAS 18436-37-8
What Is 3-Hexyldihydrofuran-2(3H)-one?
3-Hexyldihydrofuran-2(3H)-one is a synthetic fragrance ingredient used to add fruity, creamy nuances to perfumes. It’s found in body care products and fine fragrances. This lactone derivative matters because it mimics natural fruit aromas while offering superior stability, allowing consistent scent profiles in mass-market products.
Safety Profile
GENERALLY SAFEWhat Does 3-Hexyldihydrofuran-2(3H)-one Smell Like?
A warm, fruity-lactonic character reminiscent of ripe peaches and coconut flesh. Opens with a slightly green, waxy top note that softens into a creamy heart with nuances of baked apricots. The drydown reveals a subtle woody undertone that prevents cloying sweetness. Exceptionally versatile for creating tropical or gourmand effects without overwhelming compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to amplify the ethyl maltol accord, adding dimension to the fragrance’s famous ‘edible flower’ effect.
Provides a counterpoint to the vanilla absolute with its lactonic fruitiness.
2D Molecular Structure
SMILES: CCCCCCC1CCOC1=O
Chemistry, Properties & Perfumer Guide
The Chemistry
A gamma-hexyl-substituted butyrolactone belonging to the ester class. Synthesized via esterification of 4-hydroxyhexanoic acid or through cyclization of relevant keto acids. The gamma position creates its characteristic fruity-lactonic odor profile. No significant chirality effects noted due to rapid interconversion under use conditions.
Physical & Chemical Properties
| Boiling Point | Not established |
|---|---|
| Density | Estimated ~0.95 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Fruit accords |
| Body Care | 0.5-1% | Up to 2% | Creamy modifiers |
Classic Accords
Tip: Use with ionones to create peach-apricot effects.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions (2023).
RIFM Assessment
Under evaluation – preliminary data suggests low concern at typical use levels.
Sustainability
Synthetic production avoids agricultural impacts. Typical petrochemical feedstock with opportunities for bio-based routes via fermentation-derived intermediates.
Explore 3-Hexyldihydrofuran-2(3H)-one
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090869
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID7047437
Physical Properties
| Molecular Weight | 170.252 g/mol🔬 EPA CompTox |
| Density | 0.955 g/cm^3📊 OPERA |
| Boiling Point | 257.89 °C📊 OPERA |
| Melting Point | -8.304 °C📊 OPERA |
| Flash Point | 110.986 °C📊 OPERA |
| Refractive Index | 1.447 Dimensionless📊 OPERA |
| Molar Volume | 179.856 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.985 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.985 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.985 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.83 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.014 mmHg📊 OPERA |
| Viscosity | 3.045 cP📊 OPERA |
| Surface Tension | 31.018 dyn/cm📊 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 | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 48.041 cm^3/mol📊 OPERA |
| Polarizability | 19.045 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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