Cinnamonitrile (isomer unspecified) (CAS 4360-47-8) — Spicy Middle Note Fragrance Ingredient
Cinnamonitrile (isomer unspecified)
CAS 4360-47-8
What Is Cinnamonitrile (isomer unspecified)?
Cinnamonitrile is a synthetic fragrance compound that mimics the warm, spicy-sweet aroma of cinnamon. You’ll encounter it in festive candles, holiday potpourris, and seasonal perfumes. This ingredient matters because it delivers cinnamon’s comforting scent without the volatility issues of natural cinnamon essential oil.
Safety Profile
USE WITH AWARENESSWhat Does Cinnamonitrile (isomer unspecified) Smell Like?
Cinnamonitrile bursts with an intense cinnamon stick impression – fiery yet sweet, like red-hot candies melting on a griddle. The initial bite softens into a powdered sugar dustiness, with whispers of clove-studded oranges. Unlike true cinnamon oil, it lacks the woody depth but gains superior stability, maintaining its festive character through the dry-down where it lingers as a warm, vanillic whisper.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a synthetic cinnamon core to create the explosive spicy opening without citrus interference. Provides consistent scent profile in the alcohol base.
Blends cinnamonitrile with patchouli for a modern gourmand twist. The synthetic nature prevents clashing with the chocolate accord.
2D Molecular Structure
SMILES: N#CC=CC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Cinnamonitrile belongs to the nitrile class of organic compounds, characterized by a -C≡N functional group. While nitriles occur naturally in some plants (like cinnamon bark), commercial cinnamonitrile is synthesized through hydrocyanation of cinnamaldehyde. The unspecified isomer typically refers to a trans-cinnamaldehyde-derived mixture. Nitriles offer superior oxidative stability compared to aldehydes, making them valuable in fragrance applications where longevity is crucial.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Estimated 250-260°C |
| Density | ~0.98 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Powerful modifier for spice accords |
| Candles | 1-3% | Up to 8% | Heat-stable cinnamon alternative |
Classic Accords
Tip: Pair with damascones to add fruity complexity and soften the sharp edges.
Alternatives & Comparisons
For gentler cinnamon effects without nitrile sensitization concerns. Loses some intensity but gains floral facets.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted under IFRA standards. Self-regulate below 5% in leave-on products.
GHS Classification
RIFM Assessment
RIFM evaluation ongoing. Preliminary data suggests safe use at current industry levels.
Sustainability
As a synthetic material, cinnamonitrile reduces pressure on cinnamon bark harvesting. Production typically uses petrochemical feedstocks, though some manufacturers are exploring bio-based routes using fermentation-derived cinnamaldehyde.
Explore Cinnamonitrile (isomer unspecified)
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References
- Bickers et al. (2003). Nitriles in Fragrance Chemistry. J Agric Food Chem. DOI:10.1021/jf0301827
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 4360-47-8Physical Properties
| Molecular Weight | 129.16 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2🔬 PubChem |
| Boiling Point | 254.5 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0724 mmHg @ 25°C📊 OPERA |
| Flash Point | 105.2 °C🔬 EPA CompTox |
| Involatility Index | 0.0069💻 Calculated |
| log Kp (skin permeability) | -2.068💻 Calculated |
| SMILES | C1=CC=C(C=C1)C=CC#N🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 1.6 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | cinnamonspicysweet• leffingwell |
| Functional Groups | alkenearomatic💻 RDKit |
| “Powerful, warm-spicy, oily and slightly floral odor of moderate to poor tenacity. The spicy note is very Cinnamon-like, but lacks the natural dry notes of the Cinnamon bark. The oily character is by no means a disadvantage, since it makes the material more versatile than Cinnamon bark oil and Cinnamic aldehyde.”📖 Arctander | |
Flavor Notes (Arctander)
| “NOTE: The nitrile is stable under mildly alkaline conditions (soaps and detergents), but decomposes under acid conditions (most flavored products).”📖 Arctander |
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: DTXSID2052100
Physical Properties
| Molecular Weight | 129.162 g/mol🔬 EPA CompTox |
| Density | 1.02 g/cm^3🔬 EPA CTX |
| Boiling Point | 254.5 °C🔬 EPA CTX |
| Melting Point | 22 °C🔬 EPA CTX |
| Flash Point | 109.389 °C📊 OPERA |
| Refractive Index | 1.595 Dimensionless📊 OPERA |
| Molar Volume | 123.792 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.96 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.169 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.169 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.97 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.041 mmHg📊 OPERA |
| Surface Tension | 41.471 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 23.79 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 42.056 cm^3/mol📊 OPERA |
| Polarizability | 16.672 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.
