2H-Indeno[4,5b] furan, decahydro-2,2,6,6,7,8,8-heptamethyl (CAS 476332-65-7) — Musky Base Note Fragrance Ingredient
2H-Indeno[4,5b] furan, decahydro-2,2,6,6,7,8,8-heptamethyl
CAS 476332-65-7
What Is 2H-Indeno[4,5b] furan, decahydro-2,2,6,6,7,8,8-heptamethyl?
This synthetic fragrance ingredient is a specialized musk compound used in modern perfumery. It’s found in premium laundry detergents and some niche fragrances. The molecule provides long-lasting musk effects without animal-derived ingredients, making it important for vegan and sustainable fragrance formulations.
Safety Profile
USE WITH AWARENESSWhat Does 2H-Indeno[4,5b] furan, decahydro-2,2,6,6,7,8,8-heptamethyl Smell Like?
A powerful synthetic musk with exceptional tenacity, presenting as a clean, modern interpretation of traditional musk profiles. Opens with crisp laundry-like freshness before settling into a warm, skin-hugging base reminiscent of sun-warmed cotton. The dry-down reveals subtle woody-ambery facets that persist for days on test strips, making it ideal for fabric care applications where longevity is prized.
2D Molecular Structure
SMILES: CC1C(C)(C)C2CCC3CC(C)(C)OC3C2C1(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
This polycyclic musk belongs to the indane-furan structural class, specifically engineered for stability and odor performance. The heptamethyl substitution pattern creates steric hindrance that slows degradation, contributing to exceptional longevity. Synthesized through Diels-Alder reactions followed by exhaustive methylation, the rigid cage-like structure prevents metabolic breakdown while maintaining low volatility. The absence of chiral centers simplifies industrial production compared to traditional macrocyclic musks.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fabric Care | 0.1-0.5% | Up to 1% | Provides lasting freshness |
| Fine Fragrance | 0.05-0.2% | Up to 0.5% | Musky base enhancer |
Classic Accords
Tip: Use in trace amounts to avoid overwhelming other notes due to extreme tenacity.
Alternatives & Comparisons
More floral and less woody musk alternative with better substantivity on skin.
Softer musk with better diffusion for applications requiring more lift.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions. Listed on Annex II of IFRA Standards as approved fragrance ingredient.
RIFM Assessment
Under evaluation by RIFM. Preliminary data suggests favorable safety profile at recommended use levels.
Sustainability
As a fully synthetic material, this musk avoids ecological concerns associated with animal-derived musks or nitro musks. The production process generates minimal waste due to high-yield catalytic reactions. Being non-bioaccumulative and readily biodegradable, it represents a sustainable choice for long-lasting musk effects without environmental persistence issues.
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Ingredient Data Sheet
CAS 476332-65-7Physical Properties
| Molecular Weight | 264.4 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 5.3🔬 PubChem |
| Boiling Point | 315 °C🔬 EPA CompTox |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| Flash Point | 116.5 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -0.55💻 Calculated |
| SMILES | CC1C(C2CCC3CC(OC3C2C1(C)C)(C)C)(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 12.5 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | ether💻 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: DTXSID9051379
Physical Properties
| Molecular Weight | 264.453 g/mol🔬 EPA CompTox |
| Density | 0.876 g/cm^3📊 OPERA |
| Boiling Point | 298.758 °C📊 OPERA |
| Melting Point | 87.419 °C📊 OPERA |
| Flash Point | 126.593 °C📊 OPERA |
| Refractive Index | 1.451 Dimensionless📊 OPERA |
| Molar Volume | 301.202 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 6.185 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 6.185 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 6.185 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.46 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.002 mmHg📊 OPERA |
| Surface Tension | 27.696 dyn/cm📊 OPERA |
| Thermal Conductivity | 96.334 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 9.23 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 81.111 cm^3/mol📊 OPERA |
| Polarizability | 32.155 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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