Decahydrospiro[furan-2(3H),5′-[4,7]methano[5H]indene] (CAS 68480-11-5) — Woody Base Note Fragrance Ingredient
Decahydrospiro[furan-2(3H),5'-[4,7]methano[5H]indene]
CAS 68480-11-5
What Is Decahydrospiro[furan-2(3H),5'-[4,7]methano[5H]indene]?
Decahydrospiro[furan-2(3H),5′-[4,7]methano[5H]indene] is a synthetic fragrance compound used in modern perfumery. It’s found in niche and designer fragrances aiming for unique woody-amber profiles. This ingredient matters because it offers perfumers a novel molecular structure that can create distinctive scent signatures not achievable with traditional materials.
Safety Profile
USE WITH AWARENESSWhat Does Decahydrospiro[furan-2(3H),5'-[4,7]methano[5H]indene] Smell Like?
This synthetic molecule presents a complex olfactory profile – imagine the dry crackle of sun-baked driftwood meeting the resinous depth of aged amber. The initial impression is clean yet mysterious, with subtle camphoraceous facets that evolve into a warm, slightly animalic base. It behaves like a chameleon in blends, amplifying woody notes while adding an intriguing metallic edge reminiscent of hot desert winds carrying mineral traces.
2D Molecular Structure
SMILES: C1CC2C3CC(C2C1)C1(CCCO1)C3
Chemistry, Properties & Perfumer Guide
The Chemistry
Decahydrospiro[furan-2(3H),5′-[4,7]methano[5H]indene] belongs to the class of spirocyclic compounds, featuring a unique bridged indane structure fused with a tetrahydrofuran ring. Its synthesis typically involves Diels-Alder reactions followed by hydrogenation steps. The rigid spiro center creates distinctive conformational constraints that influence its odor properties. While exact synthetic routes are proprietary, modern catalytic methods enable efficient production of this architecturally complex molecule.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as a woody-amber modifier |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Adds depth to masculine accords |
Classic Accords
Tip: Use sparingly in woody oriental bases to add structural complexity without overwhelming the blend.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
No formal RIFM assessment published as of current data.
Sustainability
As a synthetic material, this compound’s environmental impact depends on production methods. While it avoids natural resource depletion, its complex synthesis may require significant energy inputs. Future green chemistry approaches could improve its sustainability profile.
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Ingredient Data Sheet
CAS 68480-11-5Physical Properties
| Molecular Weight | 192.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.1🔬 PubChem |
| Boiling Point | 256 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0002 mmHg @ 25°C📊 OPERA |
| Flash Point | 92 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.672💻 Calculated |
| SMILES | C1CC2C(C1)C3CC2CC34CCCO4🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 7 / 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: DTXSID5052412
Physical Properties
| Molecular Weight | 192.302 g/mol🔬 EPA CompTox |
| Density | 1.074 g/cm^3📊 OPERA |
| Boiling Point | 264.301 °C📊 OPERA |
| Melting Point | 91.32 °C📊 OPERA |
| Flash Point | 108.723 °C📊 OPERA |
| Refractive Index | 1.541 Dimensionless📊 OPERA |
| Molar Volume | 177.266 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.412 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.412 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.412 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.66 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.007 mmHg📊 OPERA |
| Viscosity | 4.884 cP📊 OPERA |
| Surface Tension | 38.379 dyn/cm📊 OPERA |
| Thermal Conductivity | 111.414 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 | 55.73 cm^3/mol📊 OPERA |
| Polarizability | 22.093 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.
