4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran (CAS 494-90-6) — Woody Base Note Fragrance Ingredient
4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran
CAS 494-90-6
What Is 4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran?
4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran is a synthetic fragrance ingredient used in perfumery. It is often found in modern fragrances to add woody, amber, or slightly spicy nuances. This ingredient matters because it helps create depth and longevity in fragrances, often used as a base note to anchor lighter components.
Safety Profile
GENERALLY SAFEWhat Does 4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran Smell Like?
This molecule offers a warm, woody aroma with subtle spicy undertones. It evolves from a slightly sharp initial impression to a smooth, amber-like dry-down. The scent is reminiscent of aged woods with a hint of dried herbs, making it versatile for both masculine and feminine fragrances.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to create a warm, woody base that enhances longevity and adds depth to the fragrance.
2D Molecular Structure
SMILES: CC1CCC2=C(C1)OC=C2C
Chemistry, Properties & Perfumer Guide
The Chemistry
4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran is a synthetic aromatic compound belonging to the benzofuran class. It is typically synthesized through catalytic hydrogenation of dimethylbenzofuran derivatives. The molecule’s structure contributes to its stability and slow evaporation rate, making it ideal for base notes.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds woody depth |
Classic Accords
Tip: Use in small amounts to avoid overpowering other notes.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
RIFM safety assessment pending.
Sustainability
As a synthetic ingredient, it is produced in controlled environments with minimal environmental impact. Its synthesis avoids the need for natural resource extraction.
Explore 4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- PubChem Compound Summary for 4,5,6,7-Tetrahydro-3,6-dimethylbenzofuran PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID9025534
Physical Properties
| Molecular Weight | 150.221 g/mol🔬 EPA CompTox |
| Density | 0.965 g/cm^3🔬 EPA CTX |
| Boiling Point | 201.826 °C📊 OPERA |
| Melting Point | 86 °C🔬 EPA CTX |
| Flash Point | 75.357 °C📊 OPERA |
| Refractive Index | 1.49 Dimensionless📊 OPERA |
| Molar Volume | 155.324 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.143 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.143 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.143 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.85 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.222 mmHg📊 OPERA |
| Viscosity | 3.113 cP📊 OPERA |
| Surface Tension | 30.322 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 | 1 count💻 Computed |
| Molar Refractivity | 44.872 cm^3/mol📊 OPERA |
| Polarizability | 17.788 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.
![5(Or 6)-Methyl-7(or 8)-(1-methylethyl)bicyclo[2.2.2]oct-5-ene-2-carbaldehyde (CAS 68259-31-4) — Woody Middle Note Fragrance Ingredient](https://thegoodscents.company/wp-content/uploads/2026/04/5-1-768x439.webp)