Firsantol (CAS 3407-42-9) — Woody Heart Note Fragrance Ingredient
Firsantol
CAS 3407-42-9
What Is Firsantol?
Firsantol is a synthetic fragrance ingredient used in perfumery for its fresh, woody character. It’s commonly found in modern masculine fragrances and aftershaves. This versatile molecule helps create crisp, forest-like accords that evoke the outdoors.
Safety Profile
GENERALLY SAFEWhat Does Firsantol Smell Like?
Firsantol opens with a sharp, invigorating freshness reminiscent of crushed pine needles and mountain air. As it evolves, the woody heart reveals subtle cedar-like facets with a clean, slightly camphoraceous edge. The dry-down is remarkably persistent, leaving a refined woody-musky trail that blends seamlessly with base notes.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used for its crisp woody character that complements the mineral-flint accord, adding modern freshness to the classic vetiver structure.
Provides the aromatic woody backbone that balances the citrus top and ginger heart notes in this contemporary masculine.
2D Molecular Structure
SMILES: CC1C2CC(CC2C2CCCC(O)C2)C1(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Firsantol is a synthetic woody-amber odorant belonging to the alkyl cyclopentanols chemical class. It’s produced through catalytic hydrogenation of appropriate precursors. The molecule features a rigid cyclopentane ring that contributes to its excellent stability and substantivity in fragrance applications.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Approx. 220-230°C |
| Flash Point | >100°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Woody accent in masculine compositions |
| Functional Fragrances | 0.5-2% | Up to 3% | Freshness booster in detergents |
Classic Accords
Tip: Use with citrus top notes to create dynamic freshness in woody compositions.
Alternatives & Comparisons
When a more intense, diffusive woody character is desired.
For softer, more velvety woody effects with better skin compatibility.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. IFRA, REACH, EU Cosmetics Regulation standards update periodically. Consult current IFRA Standards Library before formulating. Not legal or regulatory advice.
IFRA Status
Not currently restricted by IFRA standards.
EU Allergen Declaration
Not listed in EU allergen regulation.
RIFM Assessment
Under review by RIFM with preliminary data showing good safety profile.
Sustainability
As a synthetic material, Firsantol production doesn’t rely on natural resources. Modern manufacturing processes aim to minimize environmental impact through efficient catalysis and waste reduction.
Explore Firsantol
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References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID5044817
Physical Properties
| Molecular Weight | 236.399 g/mol🔬 EPA CompTox |
| Density | 0.978 g/cm^3🔬 EPA CTX |
| Boiling Point | 300.257 °C📊 OPERA |
| Melting Point | -5 °C🔬 EPA CTX |
| Flash Point | 117.5 °C🔬 EPA CTX |
| Refractive Index | 1.507 Dimensionless📊 OPERA |
| Molar Volume | 240.709 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.07 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.308 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.308 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.46 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 OPERA |
| Viscosity | 29.918 cP📊 OPERA |
| Surface Tension | 33.825 dyn/cm📊 OPERA |
| Thermal Conductivity | 112.713 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 71.668 cm^3/mol📊 OPERA |
| Polarizability | 28.412 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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