Isolongifolene (CAS 1135-66-6) — Woody Base Note Fragrance Ingredient
Isolongifolene
CAS 1135-66-6
What Is Isolongifolene?
Isolongifolene is a synthetic fragrance ingredient used to add woody, ambery depth to perfumes and scented products. It’s commonly found in masculine fragrances, candles, and home fragrances where a rich, long-lasting base is desired. This molecule enhances fragrance longevity and helps blend other ingredients smoothly, making it valuable for creating complex scent profiles.
Safety Profile
GENERALLY SAFEWhat Does Isolongifolene Smell Like?
Isolongifolene presents a deep, woody character with subtle amber undertones and a touch of earthy complexity. It evolves slowly on the skin, revealing a dry, slightly resinous quality reminiscent of aged cedarwood or the dry-down of fine leather. The scent lacks sharp edges, instead offering a smooth, enveloping warmth that acts as an excellent fixative for brighter top notes.
2D Molecular Structure
SMILES: CC1(C)[C@H]2CC[C@]3(C2)C1=CCCC3(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Isolongifolene is a sesquiterpene hydrocarbon derived through chemical synthesis, typically via cyclization of suitable terpene precursors. Its structure features a complex bridged ring system that contributes to its stability and low volatility. While not found abundantly in nature, it shares structural similarities with natural wood-derived terpenes, allowing it to blend well with essential oils.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Base note fixative |
| Home Fragrance | 3-8% | Up to 15% | Amber/woody accords |
Classic Accords
Tip: Use as a base note blender to add depth and extend fragrance longevity.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply to isolongifolene.
RIFM Assessment
RIFM considers isolongifolene safe for current fragrance use levels.
Sustainability
As a synthetic material, isolongifolene offers consistent quality without natural sourcing pressures. Its production can be optimized for minimal environmental impact through green chemistry principles. Being highly effective at low concentrations reduces the overall material requirement in formulations.
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Perfumer’s Notes
MW: 204.35
LogP: 5
Ingredient Data Sheet
CAS 1135-66-6Physical Properties
| Molecular Weight | 204.35 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 5🔬 PubChem |
| Boiling Point | 258 °C🔬 EPA CompTox |
| Vapor Pressure | 0.002 mmHg @ 25°C📊 OPERA |
| Flash Point | 102.6 °C🔬 EPA CompTox |
| Involatility Index | 0.0002💻 Calculated |
| log Kp (skin permeability) | -0.397💻 Calculated |
| SMILES | CC1(CCC=C2C13CCC(C3)C2(C)C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 6.4 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | alkene💻 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: DTXSID1044518
Physical Properties
| Molecular Weight | 204.357 g/mol🔬 EPA CompTox |
| Density | 0.93 g/cm^3📊 OPERA |
| Boiling Point | 262.783 °C📊 OPERA |
| Melting Point | 41.033 °C📊 OPERA |
| Flash Point | 104.738 °C📊 OPERA |
| Refractive Index | 1.518 Dimensionless📊 OPERA |
| Molar Volume | 214.724 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.405 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 5.405 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.405 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.72 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0.005 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.034 mmHg📊 OPERA |
| Surface Tension | 32.588 dyn/cm📊 OPERA |
| Thermal Conductivity | 107.039 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 0 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 0 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 65.052 cm^3/mol📊 OPERA |
| Polarizability | 25.789 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.
