3-Ethylhexahydro-2(3H)-benzofuranone (CAS 54491-17-7) — Woody Base Note Fragrance Ingredient
3-Ethylhexahydro-2(3H)-benzofuranone
CAS 54491-17-7
What Is 3-Ethylhexahydro-2(3H)-benzofuranone?
3-Ethylhexahydro-2(3H)-benzofuranone is a synthetic fragrance ingredient known for its woody, musky, and slightly sweet aroma. It is commonly used in perfumes, body care products, and household cleaners to add depth and warmth. This ingredient matters because it enhances fragrance longevity and blends well with other notes, creating complex and appealing scents.
Safety Profile
GENERALLY SAFEWhat Does 3-Ethylhexahydro-2(3H)-benzofuranone Smell Like?
3-Ethylhexahydro-2(3H)-benzofuranone offers a rich, woody-musky character with subtle sweet undertones. Its scent evolves from a warm, slightly earthy top note to a deep, lingering base. The dry-down is smooth and persistent, making it ideal for enhancing the longevity of fragrances. Its aroma is reminiscent of aged woods and amber, providing a sophisticated and comforting finish.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to create a warm, woody base that complements floral and spicy notes, adding depth and longevity.
Enhances the musky profile, blending seamlessly with vanilla and sandalwood for a cozy, inviting scent.
2D Molecular Structure
SMILES: CCC1C2CCCCC2OC1=O
Chemistry, Properties & Perfumer Guide
The Chemistry
3-Ethylhexahydro-2(3H)-benzofuranone is a synthetic musk belonging to the benzofuranone class. It is synthesized through catalytic hydrogenation of ethylbenzofuran derivatives. The compound’s structure contributes to its stability and persistence in fragrances. Its chiral centers may influence its olfactory properties, though specific enantiomeric effects are not well-documented.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds depth and longevity |
| Body Care | 0.5-3% | Up to 5% | Enhances warm, woody notes |
Classic Accords
Tip: Use in small amounts to avoid overpowering other notes.
Alternatives & Comparisons
A synthetic musk with a cleaner, more neutral profile, suitable for lighter fragrances.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
No specific RIFM assessment found.
Sustainability
As a synthetic ingredient, 3-Ethylhexahydro-2(3H)-benzofuranone is produced in controlled environments, minimizing environmental impact compared to natural extraction. Its synthesis can be optimized for reduced waste and energy use.
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References
- PubChem. 3-Ethylhexahydro-2(3H)-benzofuranone. PubChem CID: N/A
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 54491-17-7Physical Properties
| Molecular Weight | 168.23 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.5🔬 PubChem |
| Boiling Point | 240 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0219 mmHg @ 25°C📊 OPERA |
| Flash Point | 110.9 °C🔬 EPA CompTox |
| Involatility Index | 0.0018💻 Calculated |
| log Kp (skin permeability) | -1.951💻 Calculated |
| SMILES | CCC1C2CCCCC2OC1=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.8 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | muskywoody• leffingwell |
| Functional Groups | esterether💻 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: DTXSID0052203
Physical Properties
| Molecular Weight | 168.236 g/mol🔬 EPA CompTox |
| Density | 1.054 g/cm^3📊 OPERA |
| Boiling Point | 259.13 °C📊 OPERA |
| Melting Point | 51.357 °C📊 OPERA |
| Flash Point | 114.069 °C📊 OPERA |
| Refractive Index | 1.467 Dimensionless📊 OPERA |
| Molar Volume | 165.802 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.542 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.542 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.542 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.77 Log10 unitless📊 OPERA |
| Water Solubility | 0.013 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.011 mmHg📊 OPERA |
| Viscosity | 5.165 cP📊 OPERA |
| Surface Tension | 30.891 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 46.009 cm^3/mol📊 OPERA |
| Polarizability | 18.239 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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