5-Methylfurfural (CAS 620-02-0) — Sweet Heart Note Fragrance Ingredient
5-Methylfurfural
CAS 620-02-0
What Is 5-Methylfurfural?
5-Methylfurfural is a synthetic aroma chemical used in food and fragrance industries. It’s found in baked goods, coffee, and some perfumes, contributing to caramel-like and sweet notes. This ingredient matters because it enhances warm, gourmand accords in fragrances and adds depth to flavor profiles, creating comforting and familiar scent experiences.
Safety Profile
GENERALLY SAFEWhat Does 5-Methylfurfural Smell Like?
5-Methylfurfural exudes a rich, warm aroma reminiscent of freshly baked bread crust and caramelized sugar. Its top note bursts with sweet, slightly burnt nuances that evolve into a heart of honeyed malt and toasted almonds. The dry-down reveals a subtle woody undertone, lingering like the last traces of a dessert wine. This molecule behaves like liquid nostalgia – conjuring images of pastry shops at dawn with its buttery-sweet persistence.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to amplify the gourmand chocolate-patchouli accord, adding caramelized depth to the fragrance’s edible quality.
Contributes to the coffee-vanilla accord, enhancing the fragrance’s addictive sweetness with toasted nuances.
2D Molecular Structure
SMILES: CC1=CC=C(O1)C=O
Chemistry, Properties & Perfumer Guide
The Chemistry
5-Methylfurfural belongs to the furan class of heterocyclic organic compounds, characterized by a five-membered aromatic ring containing four carbon atoms and one oxygen. Industrially produced through acid-catalyzed dehydration of hexose sugars or via oxidation of 5-methylfurfuryl alcohol. Its planar structure and conjugated system contribute to stability and odor potency. While not naturally abundant, trace amounts occur in thermal degradation products of carbohydrates.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Threshold | 0.01 ppm (extremely potent) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Powerful modifier for gourmand accords |
| Functional Fragrance | 0.01-0.1% | Up to 0.3% | Adds warmth to household products |
Classic Accords
Tip: Use sparingly in alcohol-based perfumes as it can dominate compositions at high concentrations.
Alternatives & Comparisons
More almond-like with less caramel character, useful when a drier nutty note is desired.
Offers similar caramel effects but with added strawberry-like fruity nuances for complex gourmands.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards. Listed on IFRA Transparency List with no usage limitations.
RIFM Assessment
RIFM has evaluated 5-methylfurfural and found it safe for current fragrance use levels.
Sustainability
Synthesized from renewable carbohydrate feedstocks, offering a sustainable alternative to extraction from natural sources. Production typically employs green chemistry principles with high atom economy. Biodegradability studies show favorable environmental profiles, though energy-intensive purification steps present opportunities for process optimization.
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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 errorIngredient Data Sheet
CAS 620-02-0Physical Properties
| Molecular Weight | 110.11 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 0.7🔬 PubChem |
| Boiling Point | 89 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.875💻 Calculated |
| SMILES | CC1=CC=C(O1)C=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Primary Descriptors | caramelnuttyspicysweet• leffingwell |
| Functional Groups | aldehydearomatic💻 RDKit |
| “Sweet-spicy, warm, and slightly caramellic odor.”📖 Arctander | |
| 5-Methylfurfural has a sweet, spicy, warm odor with a sweet, caramel-like flavor.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Sweet-caramellic, warm taste. This material finds some use in flavor compositions, particularly for imitation Honey, Maple, etc. and in Nut compositions, meat flavors, etc. On account of its power it is used so sparingly that the concentration in finished products is only about 0.03 to 0.15 ppm.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 9.6397 ppm (n=3)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2702⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| 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: DTXSID1060714
Physical Properties
| Molecular Weight | 110.112 g/mol🔬 EPA CompTox |
| Density | 1.102 g/cm^3🔬 EPA CTX |
| Boiling Point | 187 °C🔬 EPA CTX |
| Melting Point | 19.031 °C📊 OPERA |
| Flash Point | 68.737 °C📊 OPERA |
| Refractive Index | 1.513 Dimensionless📊 OPERA |
| Molar Volume | 100.169 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.67 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.827 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.812 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.48 Log10 unitless📊 OPERA |
| Water Solubility | 0.07 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.794 mmHg📊 OPERA |
| Viscosity | 1.525 cP📊 OPERA |
| Surface Tension | 35.932 dyn/cm📊 OPERA |
| Thermal Conductivity | 164.353 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 | 30.13 cm^3/mol📊 OPERA |
| Polarizability | 11.945 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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