Methyl 2-furoate (CAS 611-13-2) — Sweet Middle Note Fragrance Ingredient
Methyl 2-furoate
CAS 611-13-2
What Is Methyl 2-furoate?
Methyl 2-furoate is a synthetic fragrance ingredient with a distinct fruity, caramel-like aroma. You’ll encounter it in gourmand perfumes, flavored foods, and some household products. This molecule adds a warm, sweet depth to fragrances, reminiscent of roasted coffee or maple syrup.
Safety Profile
GENERALLY SAFEWhat Does Methyl 2-furoate Smell Like?
Methyl 2-furoate bursts with an initial impression of burnt sugar and caramelized fruit, like the crust of a crème brûlée. As it settles, the aroma reveals darker facets – roasted coffee beans drizzled with maple syrup, with a subtle earthy undertone reminiscent of freshly brewed espresso. The dry-down maintains a warm, sweet persistence that blends beautifully with vanilla and spice accords.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a caramelic modifier in the legendary gourmand accord, enhancing the patchouli-chocolate-vanilla core with roasted depth.
Contributes to the coffee accord, adding a roasted sweetness that complements the white florals and vanilla.
Accentuates the tar-like coffee notes, bridging the gap between sweet and smoky elements in this polarizing masculine.
Amplifies the rich coffee theme with its burnt sugar character, creating a dessert-like olfactory experience.
Works with maple and coffee notes to create a breakfast-inspired gourmand with surprising sophistication.
2D Molecular Structure
SMILES: COC(=O)C1=CC=CO1
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl 2-furoate is an ester derived from furan carboxylic acid, featuring a five-membered aromatic ring with an oxygen heteroatom. Industrially produced through esterification of 2-furoic acid with methanol, this compound showcases the unique olfactory properties of furan derivatives. The planar structure and electron-rich furan ring contribute to its distinctive roasted odor profile. While not found in significant quantities in nature, related furanoids occur in roasted foods and coffee.
Physical & Chemical Properties
| Boiling Point | 181-182 °C |
|---|---|
| Density | 1.173 g/cm³ |
| Refractive Index | 1.486 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Gourmand and oriental compositions |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Coffee and caramel scented products |
| Flavor | 10-50 ppm | Up to 100 ppm | Caramel and maple flavorings |
| Home Care | 0.05-0.2% | Up to 0.5% | Bakery-type air fresheners |
Classic Accords
Tip: Use with ionones to create a ‘coffee flower’ effect or with pyrazines for enhanced roasted character.
Alternatives & Comparisons
More intense caramel note without the roasted aspect, useful when a brighter sweetness is desired.
Stronger roasted coffee character, ideal for authentic coffee reconstructions but less sweet.
Provides similar sweetening effects but with a more cotton candy-like rather than roasted profile.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Listed as safe for use in all fragrance categories.
RIFM Assessment
Evaluated by RIFM in 2013 with no significant safety concerns at typical usage levels.
Sustainability
As a synthetic material, methyl 2-furoate avoids agricultural impacts but requires petrochemical feedstocks. Production typically employs green chemistry principles with high atom economy. The material’s potency means small quantities deliver significant olfactory impact, reducing overall environmental footprint per unit of fragrance performance.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090869
- Pybus, D.H. (1999). The Chemistry of Fragrances. Royal Society of Chemistry. ISBN 0854045287
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID7060598
Physical Properties
| Molecular Weight | 126.111 g/mol🔬 EPA CompTox |
| Density | 1.139 g/cm^3📊 OPERA |
| Boiling Point | 181.4 °C🔬 EPA CTX |
| Melting Point | 11.317 °C📊 OPERA |
| Flash Point | 58.675 °C🔬 EPA CTX |
| Refractive Index | 1.463 Dimensionless📊 OPERA |
| Molar Volume | 110.121 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 1.135 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.115 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.64 Log10 unitless📊 OPERA |
| Water Solubility | 0.154 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.834 mmHg📊 OPERA |
| Viscosity | 1.943 cP📊 OPERA |
| Surface Tension | 34.016 dyn/cm📊 OPERA |
| Thermal Conductivity | 163.632 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 39.44 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 30.326 cm^3/mol📊 OPERA |
| Polarizability | 12.022 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.
