2-Pentylfuran (CAS 3777-69-3) — Sweet Middle Note Fragrance Ingredient
2-Pentylfuran
CAS 3777-69-3
What Is 2-Pentylfuran?
2-Pentylfuran is a synthetic aroma chemical that contributes to the smell of freshly baked bread, roasted coffee, and fried foods. It’s found naturally in small amounts in some cooked foods and is used to enhance savory, nutty, or caramel-like notes in fragrances. This molecule matters because it adds depth and warmth to gourmand and oriental fragrance compositions, creating comforting, familiar scents that evoke memories of home and hearth.
Safety Profile
GENERALLY SAFEWhat Does 2-Pentylfuran Smell Like?
2-Pentylfuran bursts with the aroma of crusty sourdough bread fresh from the oven, transitioning into a rich, nutty heart reminiscent of roasted hazelnuts and coffee beans. As it dries down, it reveals subtle caramelized undertones with a faint metallic edge. The scent evolves like butter browning in a pan – starting sharp and pungent, then mellowing into a warm, comforting base. At higher concentrations, it can develop an almost rubbery industrial quality, but when properly diluted, it adds irresistible gourmand warmth to fragrance compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the chocolate-coffee accord, adding roasted depth to the gourmand base. Provides a warm, nutty counterpoint to the vanilla and patchouli.
Contributes to the mysterious gourmand facets, blending with truffle and dark chocolate notes to create an edible yet sophisticated darkness.
2D Molecular Structure
SMILES: CCCCCC1=CC=CO1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Pentylfuran belongs to the furan class of heterocyclic organic compounds, characterized by a five-membered aromatic ring with four carbon atoms and one oxygen. While it occurs naturally in Maillard reaction products (the chemical reactions that occur when foods brown during cooking), most fragrance applications use synthetic versions produced through acid-catalyzed reactions of pentanol derivatives. The molecule lacks chirality centers, making stereoisomerism irrelevant for its olfactory properties. Its relatively simple structure belies its powerful aroma impact, with detection thresholds in the low parts-per-billion range.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Powerful modifier for gourmand accords |
| Functional Fragrances | 0.01-0.1% | Up to 0.3% | Adds baked goods realism |
Classic Accords
Tip: Use sparingly in alcohol-based perfumes – overdosing can create an unpleasant rubbery note.
Alternatives & Comparisons
For more intense coffee-roasted character when 2-pentylfuran’s nutty aspects are too subtle. Has stronger sulfurous notes.
When a sweeter, more caramel-like furan derivative is needed, with less of the bread crust character.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to 2-pentylfuran.
RIFM Assessment
RIFM has evaluated 2-pentylfuran and found it safe for current fragrance use levels.
Sustainability
As a synthetic material, 2-pentylfuran production doesn’t rely on agricultural resources. Its synthesis typically uses petrochemical feedstocks, though bio-based routes from furfural (derived from agricultural waste) are being explored. The environmental impact is moderate – it’s not considered persistent or bioaccumulative, but like all synthetic aromatics, responsible manufacturing practices should be followed to minimize VOC emissions during production.
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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: DTXSID9047679
Physical Properties
| Molecular Weight | 138.21 g/mol🔬 EPA CompTox |
| Density | 0.89 g/cm^3🔬 EPA CTX |
| Boiling Point | 172.174 °C📊 OPERA |
| Melting Point | -50.642 °C📊 OPERA |
| Flash Point | 52.864 °C📊 OPERA |
| Refractive Index | 1.456 Dimensionless📊 OPERA |
| Molar Volume | 154.566 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.999 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.974 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.999 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.44 Log10 unitless📊 OPERA |
| Water Solubility | 0.011 mol/L📊 OPERA |
| Henry's Law Constant | 0.003 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 1.041 mmHg📊 OPERA |
| Viscosity | 1.985 cP📊 OPERA |
| Surface Tension | 29.367 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 13.14 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 42 cm^3/mol📊 OPERA |
| Polarizability | 16.65 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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