Cinnamyl isobutyrate (CAS 103-59-3) — Sweet Middle Note Fragrance Ingredient
Cinnamyl isobutyrate
CAS 103-59-3
What Is Cinnamyl isobutyrate?
Cinnamyl isobutyrate is a synthetic fragrance compound that adds a warm, fruity-spicy character to perfumes and flavored products. You’ll encounter it in gourmand fragrances, candles, and some food flavorings. This ester matters because it bridges sweet and spicy notes, creating complexity without overpowering a blend.
Safety Profile
GENERALLY SAFEWhat Does Cinnamyl isobutyrate Smell Like?
Cinnamyl isobutyrate unfolds with an initial burst of ripe pear and baked apple, quickly revealing a cinnamon-dusted core. The dry-down carries whispers of dried apricots and a faint woody-resinous trail. Unlike raw cinnamon, it lacks harshness—imagine caramelized sugar swirling with clove-studded oranges. The ester’s moderate volatility ensures it lingers as a warm base note, blending seamlessly with vanillic and balsamic materials.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a bridge between the fragrance’s chocolate-patchouli base and fruity top notes, adding a candied cinnamon effect that enhances the gourmand theme without overpowering.
Contributes to the fragrance’s explosive spice accord, tempering the heat of pink pepper with a jammy fruitiness that makes the composition wearable.
2D Molecular Structure
SMILES: CC(C)C(=O)OCC=CC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Cinnamyl isobutyrate is an ester formed by the reaction of cinnamyl alcohol with isobutyric acid. As a synthetic material, it’s typically produced via acid-catalyzed esterification. The molecule features a phenylpropanoid skeleton with an isobutyrate ester group, giving it both aromatic and fruity characteristics. Its moderate molecular weight (192.24 g/mol) contributes to balanced volatility.
Physical & Chemical Properties
| Boiling Point | ~250 °C (est.) |
|---|---|
| Density | ~1.01 g/cm³ (est.) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Spice modifier |
| Home Care | 0.1-0.5% | Up to 1% | Warmth enhancer |
Classic Accords
Tip: Use with citrus top notes to prevent cloying sweetness in oriental compositions.
Alternatives & Comparisons
For brighter, fresher cinnamon effects with less fruity character. Preferred when working with green-floral accords.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions under Amendment 51.
GHS Classification
RIFM Assessment
RIFM evaluation confirms safe use at current industry levels.
Sustainability
As a synthetic material, cinnamyl isobutyrate avoids agricultural supply chain issues. Production typically uses petrochemical feedstocks, though bio-based routes are being explored. Energy-efficient esterification processes minimize environmental impact.
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH. ISBN 3-527-30364-2
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID6047608
Physical Properties
| Molecular Weight | 204.269 g/mol🔬 EPA CompTox |
| Density | 1.01 g/cm^3🔬 EPA CTX |
| Boiling Point | 296 °C🔬 EPA CTX |
| Melting Point | 14.33 °C📊 OPERA |
| Flash Point | 124.577 °C📊 OPERA |
| Refractive Index | 1.536 Dimensionless📊 OPERA |
| Molar Volume | 200.295 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.501 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.501 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.501 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.66 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.01 mmHg📊 OPERA |
| Viscosity | 6.175 cP📊 OPERA |
| Surface Tension | 35.387 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 62.407 cm^3/mol📊 OPERA |
| Polarizability | 24.74 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.
