Safraleine (CAS 54464-57-2) — Spicy Heart Note Fragrance Ingredient
Safraleine
CAS 54464-57-2
What Is Safraleine?
Safraleine is a synthetic fragrance ingredient that creates warm, spicy notes in perfumes and scented products. You’ll find it in modern oriental and woody fragrances. This molecule matters because it adds a unique saffron-like spice without using natural saffron, which is extremely expensive and has sustainability concerns.
Safety Profile
USE WITH AWARENESSWhat Does Safraleine Smell Like?
Safraleine unfolds with an intense saffron-like warmth, reminiscent of golden threads soaking in hot water – rich, slightly metallic, and deeply aromatic. The heart reveals a leathery tobacco character with whispers of dried fruits. As it dries down, it transforms into a soft woody-ambery base with lingering spice. The evolution is remarkably linear for a synthetic, maintaining its distinctive character for hours while gradually blending into base notes.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as the central saffron accord substitute, providing authentic spice without natural saffron’s cost. Creates the signature golden warmth that defines this luxury line.
Amplifies the tobacco-leather core with Safraleine’s spicy depth, adding modern molecular precision to the traditional masculine structure.
2D Molecular Structure
SMILES: CC1CC2=C(CC1(C)C(C)=O)C(C)(C)CCC2
Chemistry, Properties & Perfumer Guide
The Chemistry
Safraleine belongs to the pyrazine class of aromatic compounds, specifically designed to mimic natural saffron notes. While its exact molecular structure is proprietary, it shares characteristics with other spice-accords like safranal. The synthesis involves controlled oxidation reactions to create the distinctive sulfur-containing heterocycles responsible for its warm, spicy character. Unlike natural saffron compounds, Safraleine demonstrates excellent stability across pH ranges.
Physical & Chemical Properties
| Appearance | Clear to pale yellow liquid |
|---|---|
| Solubility | Soluble in alcohol and oils |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 3% | Powerful spice modifier |
| Home Fragrance | 0.1-0.5% | Up to 1% | Use sparingly for warmth |
Classic Accords
Tip: Use in trace amounts initially – Safraleine can dominate blends if overdosed.
Alternatives & Comparisons
Natural saffron aldehyde for authentic profiles, but much more expensive and less stable than Safraleine.
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
No specific restrictions under current IFRA standards (as of Amendment 49).
RIFM Assessment
Under review by RIFM for comprehensive safety assessment.
Sustainability
As a synthetic, Safraleine provides a sustainable alternative to natural saffron, which requires approximately 150,000 flowers to produce 1kg of spice. Its production avoids agricultural land use and seasonal variability. However, as a petrochemical derivative, its environmental impact depends on manufacturing processes.
Explore Safraleine
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Report a data errorIngredient Data Sheet
CAS 54464-57-2Physical Properties
| Molecular Weight | 234.38 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.6🔬 PubChem |
| Boiling Point | 290.4 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0017 mmHg @ 25°C📊 OPERA |
| Flash Point | 134 °C🔬 EPA CompTox |
| Involatility Index | 0.0001💻 Calculated |
| log Kp (skin permeability) | -1.574💻 Calculated |
| SMILES | CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 5.9 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | spicy• leffingwell |
| Functional Groups | ketonealkene💻 RDKit |
Regulatory Status
| IFRA Listed | Yes — see IFRA Standards for category limits⚖️ IFRA 51 |
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: DTXSID7031290
Physical Properties
| Molecular Weight | 234.383 g/mol🔬 EPA CompTox |
| Density | 0.964 g/cm^3🔬 EPA CTX |
| Boiling Point | 290.4 °C🔬 EPA CTX |
| Melting Point | 40.967 °C📊 OPERA |
| Flash Point | 134 °C🔬 EPA CTX |
| Refractive Index | 1.493 Dimensionless📊 OPERA |
| Molar Volume | 246.33 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.65 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.849 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.849 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.43 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.002 mmHg🔬 EPA CTX |
| Surface Tension | 32.587 dyn/cm📊 OPERA |
| Thermal Conductivity | 116.188 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 17.07 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 | 71.604 cm^3/mol📊 OPERA |
| Polarizability | 28.386 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.
