Bicyclo[4,3,1]decane, 3-methoxy-7,7-dimethyl-10-methylene (CAS 216970-21-7) — Woody Middle to base Note Fragrance Ingredient
Bicyclo[4,3,1]decane, 3-methoxy-7,7-dimethyl-10-methylene
CAS 216970-21-7
What Is Bicyclo[4,3,1]decane, 3-methoxy-7,7-dimethyl-10-methylene?
Bicyclo[4,3,1]decane, 3-methoxy-7,7-dimethyl-10-methylene is a synthetic fragrance ingredient used in modern perfumery to create unique woody and ambery accords. Its complex structure allows perfumers to achieve nuanced scent profiles that evolve beautifully on skin. This molecule matters because it offers alternatives to traditional materials while enabling innovative fragrance design that complies with increasing regulatory restrictions on naturals.
Safety Profile
GENERALLY SAFEWhat Does Bicyclo[4,3,1]decane, 3-methoxy-7,7-dimethyl-10-methylene Smell Like?
This synthetic molecule opens with a crisp, almost metallic woodiness reminiscent of freshly cut oak barrels. As it warms, it reveals hidden facets – a whisper of dry amber emerges like sun-bleached driftwood, while subtle camphoraceous edges provide cool contrast. The drydown lingers as a sophisticated skin-scent, blending the persistence of sandalwood with the transparency of modern musk accords.
2D Molecular Structure
SMILES: COC1CCC2C(=C)C(CCC2(C)C)C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Bicyclo[4,3,1]decane derivatives represent a class of structurally complex synthetic molecules designed for perfumery. The methoxy and methylene substitutions create multiple chiral centers, influencing odor characteristics. Synthesis typically involves Diels-Alder reactions followed by selective functionalization. While not found in nature, its woody-amber profile mimics certain sesquiterpenoids found in precious woods.
Physical & Chemical Properties
| Molecular Weight | Not publicly available |
|---|---|
| Complexity | 354 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Used as woody-amber modifier |
| Functional Fragrance | 0.5-1% | Up to 2% | Provides persistence in detergents |
Classic Accords
Tip: Use with ionones to soften the woody character and enhance diffusion.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to this material.
RIFM Assessment
No published RIFM assessment available at this time.
Sustainability
As a synthetic material, production avoids harvesting of natural resources. Future sustainability depends on green chemistry approaches to synthesis and energy-efficient manufacturing processes.
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References
- PubChem Compound Summary CID Not Available
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 216970-21-7Physical Properties
| Molecular Weight | 208.34 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.6🔬 PubChem |
| Boiling Point | 265 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0141 mmHg @ 25°C📊 OPERA |
| Flash Point | 105.5 °C🔬 EPA CompTox |
| Involatility Index | 0.0011💻 Calculated |
| log Kp (skin permeability) | -1.415💻 Calculated |
| SMILES | CC1(CCC2CC(CCC1C2=C)OC)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.8 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | etheralkene💻 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: DTXSID30889128
Physical Properties
| Molecular Weight | 208.345 g/mol🔬 EPA CompTox |
| Density | 0.932 g/cm^3📊 OPERA |
| Boiling Point | 262.583 °C📊 OPERA |
| Melting Point | 23.331 °C📊 OPERA |
| Flash Point | 106.6 °C📊 OPERA |
| Refractive Index | 1.479 Dimensionless📊 OPERA |
| Molar Volume | 225.76 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.86 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.86 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.86 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.56 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.017 mmHg📊 OPERA |
| Viscosity | 3.984 cP📊 OPERA |
| Surface Tension | 29.849 dyn/cm📊 OPERA |
| Thermal Conductivity | 116.645 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 64.003 cm^3/mol📊 OPERA |
| Polarizability | 25.373 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.
