2,3-Dimethylbenzofuran (CAS 3782-00-1) — Woody Base Note Fragrance Ingredient
2,3-Dimethylbenzofuran
CAS 3782-00-1
What Is 2,3-Dimethylbenzofuran?
2,3-Dimethylbenzofuran is a synthetic fragrance ingredient used to add woody, smoky nuances to perfumes. It’s found in niche fragrances seeking unconventional dry-down effects. This molecule matters because it creates subtle complexity without overwhelming other notes, making it a perfumer’s tool for crafting modern, abstract accords.
Safety Profile
USE WITH AWARENESSWhat Does 2,3-Dimethylbenzofuran Smell Like?
2,3-Dimethylbenzofuran unfolds as a dry, papery wood note with faint echoes of smoldering birch bark. Initially reserved, it develops a whisper of bitter orange pith in the heart phase before settling into a skin-like muskiness. The dry-down suggests weathered library books and distant campfire smoke, leaving a trail more tactile than aromatic. This molecule behaves like an olfactory shadow—present enough to shape a fragrance’s architecture, but never demanding center stage.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as the sole note to demonstrate how this synthetic creates an evolving woody aura that feels both minimalist and complex.
Provides the resinous backbone that makes this dark forest accord feel alive with subtle combustion effects.
2D Molecular Structure
SMILES: CC1=C(C)C2=CC=CC=C2O1
Chemistry, Properties & Perfumer Guide
The Chemistry
As a benzofuran derivative, this molecule features a fused benzene and furan ring system with methyl groups at the 2- and 3-positions. Synthesized through acid-catalyzed cyclization of substituted phenols, its rigid planar structure contributes to moderate volatility. The electron-rich furan ring participates in charge-transfer interactions with olfactory receptors, explaining its nuanced detection threshold.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~210 °C (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used for dry woody accents |
| Functional Fragrance | <0.1% | Trace | Rarely used due to subtlety |
Classic Accords
Tip: Use in alcohol-based carriers below 5% to prevent precipitation.
Alternatives & Comparisons
Offers more pronounced woody character when higher impact is needed.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current restrictions under IFRA Standards (49th Amendment).
RIFM Assessment
Under review for comprehensive safety assessment as of 2023.
Sustainability
Synthesized from petrochemical precursors with moderate atom economy. No known ecological toxicity at usage levels, but limited biodegradability data exists. Preferred over natural analogs for consistent quality and reduced agricultural impact.
Explore 2,3-Dimethylbenzofuran
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References
- Brenna et al. (2012). Synthetic routes to benzofuran fragrances. Flavour and Fragrance Journal. DOI:10.1002/ffj.2105
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID6063191
Physical Properties
| Molecular Weight | 146.189 g/mol🔬 EPA CompTox |
| Density | 1.06 g/cm^3📊 OPERA |
| Boiling Point | 220.665 °C📊 OPERA |
| Melting Point | 23.76 °C📊 OPERA |
| Flash Point | 86.115 °C📊 OPERA |
| Refractive Index | 1.577 Dimensionless📊 OPERA |
| Molar Volume | 138.894 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.235 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.235 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.23 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.19 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.083 mmHg📊 OPERA |
| Viscosity | 4.534 cP📊 OPERA |
| Surface Tension | 36.066 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 13.14 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 2 count💻 Computed |
| Molar Refractivity | 46.045 cm^3/mol📊 OPERA |
| Polarizability | 18.254 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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