2-Acetyl-5-methylfuran (CAS 1193-79-9) — Sweet Middle Note Fragrance Ingredient
2-Acetyl-5-methylfuran
CAS 1193-79-9
What Is 2-Acetyl-5-methylfuran?
2-Acetyl-5-methylfuran is a synthetic aroma chemical used to add roasted, nutty, and caramel-like notes to fragrances and flavors. You might encounter it in gourmand perfumes, coffee flavorings, or baked goods aromas. This molecule matters because it adds depth to food-inspired fragrances, creating the illusion of warmth and richness without being overly sweet.
Safety Profile
GENERALLY SAFEWhat Does 2-Acetyl-5-methylfuran Smell Like?
2-Acetyl-5-methylfuran delivers an initial burst of roasted coffee beans and toasted nuts, with an underlying caramelized sugar character. As it evolves, the aroma becomes more complex – imagine the crust of freshly baked bread meeting dark chocolate shavings. The dry-down reveals a subtle leathery nuance, making it surprisingly versatile beyond gourmand applications. At low concentrations, it adds a warm, comforting background note that enhances both sweet and savory accords.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to enhance the coffee accord, adding roasted depth that bridges the sweet vanilla and white florals.
Contributes to the tobacco-honey accord with its nutty, slightly smoky character that complements the sweetness.
2D Molecular Structure
SMILES: CC(=O)C1=CC=C(C)O1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Acetyl-5-methylfuran belongs to the furan class of heterocyclic compounds, characterized by a five-membered aromatic ring containing four carbon atoms and one oxygen. It’s synthesized through various routes including the acid-catalyzed cyclization of appropriate diketones or through Maillard-type reactions. The acetyl group at position 2 and methyl at position 5 create its distinctive roasted aroma profile. As a synthetic material, it’s typically produced in high purity for consistent olfactory performance.
Physical & Chemical Properties
| Boiling Point | Not widely reported |
|---|---|
| Density | ~1.05 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Used as nuance builder |
| Functional Fragrance | 0.01-0.1% | Up to 0.2% | For food-related products |
Classic Accords
Tip: Use in trace amounts with vanillin to create sophisticated baked goods effects without overwhelming sweetness.
Alternatives & Comparisons
For more pronounced roasted coffee character with sulfurous depth, though requires careful handling due to potency.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. No specific usage limits established.
RIFM Assessment
Registered with RIFM but full safety assessment pending. Currently considered safe at reported usage levels.
Sustainability
As a synthetic material, 2-Acetyl-5-methylfuran has minimal environmental impact in production compared to natural isolates. Its synthesis can be optimized for atom economy, and it doesn’t rely on agricultural inputs. The consistent quality reduces batch-to-batch variation and waste in formulation.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781439847503
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 1193-79-9Physical Properties
| Molecular Weight | 124.14 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.4🔬 PubChem |
| Boiling Point | 100 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.463💻 Calculated |
| SMILES | CC1=CC=C(O1)C(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Primary Descriptors | caramelcoumarinichaynutty• leffingwell |
| Functional Groups | ketonearomatic💻 RDKit |
| A light-yellow liquid with strong, nutty aroma.📖 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: DTXSID70152409
Physical Properties
| Molecular Weight | 124.139 g/mol🔬 EPA CompTox |
| Density | 1.068 g/cm^3🔬 EPA CTX |
| Boiling Point | 185.811 °C📊 OPERA |
| Melting Point | 39.435 °C📊 OPERA |
| Flash Point | 64.934 °C📊 OPERA |
| Refractive Index | 1.469 Dimensionless📊 OPERA |
| Molar Volume | 120.034 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.235 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.23 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.09 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.94 Log10 unitless📊 OPERA |
| Water Solubility | 0.079 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.841 mmHg📊 OPERA |
| Viscosity | 2.106 cP📊 OPERA |
| Surface Tension | 33.175 dyn/cm📊 OPERA |
| Thermal Conductivity | 158.779 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 | 33.405 cm^3/mol📊 OPERA |
| Polarizability | 13.243 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.
