1-(3-Methyl-2-benzofuranyl)ethanone (CAS 23911-56-0) — Woody Middle Note Fragrance Ingredient
1-(3-Methyl-2-benzofuranyl)ethanone
CAS 23911-56-0
What Is 1-(3-Methyl-2-benzofuranyl)ethanone?
1-(3-Methyl-2-benzofuranyl)ethanone is a synthetic fragrance ingredient used in perfumery. It contributes unique aromatic characteristics to compositions. Consumers might encounter it in niche fragrances where complex, modern accords are desired. This compound matters because it offers perfumers a tool to create distinctive olfactory signatures, particularly in avant-garde or experimental scents.
Safety Profile
GENERALLY SAFEWhat Does 1-(3-Methyl-2-benzofuranyl)ethanone Smell Like?
This synthetic molecule offers a complex olfactory profile. Initially, it presents sharp, almost medicinal top notes that quickly evolve into a heart of warm, slightly balsamic tones. The dry-down reveals subtle woody undertones with a hint of sweetness, reminiscent of aged leather and dried fruits. Its behavior on skin is moderate in longevity, making it suitable for mid-notes in compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to add a modern, slightly medicinal edge to an otherwise woody composition, enhancing its avant-garde appeal.
2D Molecular Structure
SMILES: CC(=O)C1=C(C)C2=CC=CC=C2O1
Chemistry, Properties & Perfumer Guide
The Chemistry
1-(3-Methyl-2-benzofuranyl)ethanone is a synthetic aromatic compound belonging to the benzofuran class. It is typically synthesized through Friedel-Crafts acylation of 3-methylbenzofuran. The compound’s structure features a ketone group attached to the benzofuran ring, contributing to its unique olfactory properties. Its synthetic nature allows for consistent quality and purity in perfumery applications.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Used for unique accords |
Classic Accords
Tip: Use sparingly to add complexity without overpowering the composition.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions currently apply.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
No RIFM safety assessment available.
Sustainability
As a synthetic compound, its production can be controlled to minimize environmental impact. However, sourcing of precursor chemicals should be considered for sustainability.
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References
- PubChem. 1-(3-Methyl-2-benzofuranyl)ethanone. PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 23911-56-0Physical Properties
| Molecular Weight | 174.2 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.7🔬 PubChem |
| Boiling Point | 276 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0001 mmHg @ 25°C📊 OPERA |
| Flash Point | 106.4 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.846💻 Calculated |
| SMILES | CC1=C(OC2=CC=CC=C12)C(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 7.1 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicwoody• leffingwell |
| Functional Groups | ketonearomatic💻 RDKit |
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: DTXSID9074357
Physical Properties
| Molecular Weight | 174.199 g/mol🔬 EPA CompTox |
| Density | 1.135 g/cm^3📊 OPERA |
| Boiling Point | 269.713 °C📊 OPERA |
| Melting Point | 83.548 °C📊 OPERA |
| Flash Point | 116.184 °C📊 OPERA |
| Refractive Index | 1.579 Dimensionless📊 OPERA |
| Molar Volume | 154.149 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.522 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.522 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.477 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.34 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 OPERA |
| Viscosity | 9.625 cP📊 OPERA |
| Surface Tension | 40.102 dyn/cm📊 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 | 2 count💻 Computed |
| Molar Refractivity | 51.248 cm^3/mol📊 OPERA |
| Polarizability | 20.316 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.
