Furfural (CAS 98-01-1) — Sweet Middle Note Fragrance Ingredient
Furfural
CAS 98-01-1
What Is Furfural?
Furfural is a sweet, woody-smelling chemical often found in roasted coffee, bread crusts, and aged spirits. It’s created when sugars break down during high-heat cooking. This amber-colored liquid adds warm, caramel-like depth to fragrances, especially those evoking gourmand or tobacco notes. Furfural matters because it bridges food and fragrance worlds, creating comforting, familiar scents that trigger nostalgia.
Safety Profile
USE WITH AWARENESSWhat Does Furfural Smell Like?
Furfural opens with an intense burst of warm, bready sweetness resembling fresh-baked sourdough crust or toasted almonds. The heart develops woody undertones with hints of tobacco leaf and dried apricot. As it dries down, it reveals a deep caramelized sugar character that lingers close to the skin. In dilution, it becomes more refined – imagine the scent left on your fingers after shelling roasted peanuts.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Furfural enhances the pipe tobacco accord with its roasted, slightly burnt sugar facets, complementing the vanilla and dried fruit notes.
Used sparingly here to amplify the coffee-chocolate gourmand heart, adding depth to the patchouli base.
2D Molecular Structure
SMILES: O=CC1=CC=CO1
Chemistry, Properties & Perfumer Guide
The Chemistry
Furfural (C5H4O2) is an aromatic aldehyde derived from agricultural byproducts like corncobs or oat hulls through acid hydrolysis of pentosans. Industrially produced via the Quaker Oats process, it’s a key precursor to furan derivatives. Its planar structure allows π-electron delocalization, contributing to stability. The aldehyde group at position 2 makes it reactive in aldol condensations, useful for creating more complex fragrance molecules.
Physical & Chemical Properties
| Boiling Point | 162 °C |
|---|---|
| Density | 1.16 g/cm³ |
| Flash Point | 60 °C |
| Vapor Pressure | 1.5 mmHg at 25°C |
| Solubility | 83 g/L in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds gourmand warmth |
| Flavorings | 10-50 ppm | Up to 100 ppm | Bakery applications |
| Tobacco | 0.1-0.5% | Up to 1% | Enhances cured leaf notes |
Classic Accords
Tip: Use in trace amounts with vanillin to prevent excessive sweetness overwhelming the blend.
Alternatives & Comparisons
More caramel-like with less bitterness, useful when a smoother profile is desired without sacrificing warmth.
Less intense aldehyde character, better for delicate formulations where subtlety is key.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
EU Allergen Declaration
Not listed in EU allergen regulation (EC) No 1223/2009.
GHS Classification
RIFM Assessment
RIFM evaluation confirms safe use at current industry levels with recommended concentration limits.
Sustainability
Furfural production utilizes agricultural waste streams, making it a biorenewable chemical. Modern processes recover and recycle sulfuric acid catalysts. However, energy-intensive distillation is required for purification. Some producers now use membrane filtration to reduce environmental impact. When derived from non-food biomass, it avoids competition with food crops.
Explore Furfural
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References
- Zeitsch, K.J. (2000). The Chemistry and Technology of Furfural and its Many By-Products. Elsevier. ISBN 9780444822886
- PubChem Compound Summary for Furfural CID 7362
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 98-01-1Physical Properties
| Molecular Weight | 96.08 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 0.4🔬 PubChem |
| Boiling Point | 161.7 °C🔬 EPA CompTox |
| Vapor Pressure | 1 mmHg @ 25°C📊 OPERA |
| Flash Point | 60 °C🔬 EPA CompTox |
| Involatility Index | 0.11💻 Calculated |
| log Kp (skin permeability) | -3.002💻 Calculated |
| SMILES | C1=COC(=C1)C=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | almondcaramelspicysweet• leffingwell |
| Functional Groups | aldehydearomatic💻 RDKit |
| Furfural has a characteristic penetrating odor typical of cyclic aldehydes.📖 Fenaroli | |
Sensory Thresholds
| Odor Detection Threshold | 0.7451 ppm (n=7)📖 van Gemert |
Regulatory Status
| IFRA Listed | Yes — see IFRA Standards for category limits⚖️ IFRA 51 |
| IOFI Classification | Nature Identical📖 Fenaroli |
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: DTXSID1020647
Physical Properties
| Molecular Weight | 96.085 g/mol🔬 EPA CompTox |
| Density | 1.159 g/cm^3🔬 EPA CTX |
| Boiling Point | 161.494 °C🔬 EPA CTX |
| Melting Point | -33.76 °C🔬 EPA CTX |
| Flash Point | 59.692 °C🔬 EPA CTX |
| Refractive Index | 1.515 Dimensionless📊 OPERA |
| Molar Volume | 83.894 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.413 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.55 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.535 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.53 Log10 unitless📊 OPERA |
| Water Solubility | 0.797 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 2.006 mmHg🔬 EPA CTX |
| Viscosity | 1.253 cP📊 OPERA |
| Surface Tension | 36.944 dyn/cm📊 OPERA |
| Thermal Conductivity | 170.793 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 30.21 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 25.305 cm^3/mol📊 OPERA |
| Polarizability | 10.032 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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