Cassyrane (CAS 871465-49-5) — Woody Base Note Fragrance Ingredient
Cassyrane
CAS 871465-49-5
What Is Cassyrane?
Cassyrane is a synthetic fragrance ingredient used in modern perfumery to create woody-ambery accords. You’ll encounter it in niche and designer fragrances where it contributes depth and longevity. This molecule matters because it offers perfumers a sustainable alternative to traditional ambery materials, with excellent stability and blending properties.
Safety Profile
GENERALLY SAFEWhat Does Cassyrane Smell Like?
Cassyrane unfolds with an initial woody dryness reminiscent of freshly sanded cedar planks, gradually revealing a sophisticated amber warmth akin to sun-baked tree resin. The heart develops a subtle leathery nuance with hints of dry tobacco leaf, while the base settles into a smooth, musky-amber dry-down that lingers close to the skin. Its evolution is linear yet nuanced, making it particularly valuable for creating modern amber foundations without overwhelming sweetness.
2D Molecular Structure
SMILES: CCCC1(OC(C)C=C1)C(C)(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Cassyrane belongs to the amber-woody odorant class, synthesized through catalytic hydrogenation of naturally derived precursors. Its molecular structure features a bicyclic framework that provides excellent stability and low volatility. The synthetic route allows for consistent quality control and avoids the sustainability issues associated with harvesting natural ambery materials.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Amber base note |
| Home Fragrance | 0.5-3% | Up to 5% | Diffusive woody note |
Classic Accords
Tip: Use as a bridge between woody and amber notes to create depth without sweetness.
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
Under evaluation by RIFM, preliminary data shows favorable safety profile.
Sustainability
As a synthetic material, Cassyrane offers consistent quality without depleting natural resources. Its production avoids the environmental impact of harvesting ambery materials from endangered tree species. The synthesis route has been optimized for minimal waste generation and energy consumption.
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Ingredient Data Sheet
CAS 871465-49-5Physical Properties
| Molecular Weight | 182.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.5🔬 PubChem |
| Boiling Point | 221 °C🔬 EPA CompTox |
| Vapor Pressure | 0.912 mmHg @ 25°C📊 OPERA |
| Flash Point | 80.3 °C🔬 EPA CompTox |
| Involatility Index | 0.0728💻 Calculated |
| log Kp (skin permeability) | -1.327💻 Calculated |
| SMILES | CCCC1(C=CC(O1)C)C(C)(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 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: DTXSID401019288
Physical Properties
| Molecular Weight | 182.307 g/mol🔬 EPA CompTox |
| Density | 0.87 g/cm^3🔬 EPA CTX |
| Boiling Point | 208.446 °C📊 OPERA |
| Melting Point | -11.608 °C📊 OPERA |
| Flash Point | 72.612 °C📊 OPERA |
| Refractive Index | 1.445 Dimensionless📊 OPERA |
| Molar Volume | 211.8 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.815 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.815 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.815 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.07 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.586 mmHg📊 OPERA |
| Viscosity | 3.009 cP📊 OPERA |
| Surface Tension | 25.784 dyn/cm📊 OPERA |
| Thermal Conductivity | 105.198 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 | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 56.424 cm^3/mol📊 OPERA |
| Polarizability | 22.368 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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