Isobutyl cinnamate (CAS 122-67-8) — Sweet Middle to Base Note Fragrance Ingredient
Isobutyl cinnamate
CAS 122-67-8
What Is Isobutyl cinnamate?
Isobutyl cinnamate is a synthetic fragrance ingredient commonly used in perfumes and personal care products. It imparts a sweet, balsamic, and slightly floral aroma that enhances various fragrance compositions. This ester is valued for its ability to add warmth and depth to scents, making it a versatile component in both fine fragrances and functional products like soaps and lotions.
Safety Profile
GENERALLY SAFEWhat Does Isobutyl cinnamate Smell Like?
Isobutyl cinnamate offers a rich, sweet, and balsamic aroma with subtle floral undertones. Its scent evolves from an initial fruity sweetness to a warm, resinous heart, finishing with a soft, powdery dry-down. The fragrance is reminiscent of amber and vanilla, making it a popular choice for oriental and gourmand accords. Its smooth, rounded profile blends seamlessly with other ingredients, adding depth and longevity to compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the vanilla and amber notes, adding a warm, balsamic sweetness that complements the oriental accord.
Adds depth to the spicy, resinous heart, blending with myrrh and cinnamon for a rich, sensual effect.
Provides a subtle sweetness that balances the citrus top notes and floral heart, contributing to the fragrance’s modern elegance.
Enhances the gourmand character, adding a warm, balsamic layer to the patchouli and vanilla base.
Used to deepen the dark, floral heart, adding a velvety, resinous quality to the composition.
2D Molecular Structure
SMILES: CC(C)COC(=O)C=CC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Isobutyl cinnamate is an ester formed from the reaction of cinnamic acid and isobutanol. It belongs to the class of aromatic esters, known for their sweet and balsamic odors. The compound is typically synthesized via esterification under acidic conditions. Its molecular structure features a phenyl group attached to an acrylic acid moiety, which is then esterified with isobutanol. This configuration contributes to its stability and pleasant olfactory properties.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds warmth and sweetness |
| Personal Care | 0.5-3% | Up to 5% | Enhances balsamic notes |
| Home Fragrance | 0.5-2% | Up to 3% | Provides long-lasting warmth |
Classic Accords
Tip: Use in small amounts to avoid overpowering other notes; excellent for rounding out sharp edges in spicy or woody accords.
Alternatives & Comparisons
Offers a similar balsamic sweetness but with a heavier, more resinous character, ideal for richer oriental fragrances.
Provides a lighter, fruitier alternative with similar balsamic undertones, suitable for fresher compositions.
Delivers a floral, spicy profile with less sweetness, useful for more complex floral accords.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under current IFRA standards.
RIFM Assessment
RIFM has assessed isobutyl cinnamate as safe for use in current fragrance applications.
Sustainability
As a synthetic ingredient, isobutyl cinnamate is produced through controlled chemical processes, reducing reliance on natural resources. Its production can be optimized for minimal environmental impact, though energy consumption and waste management should be considered. Sustainable sourcing of raw materials like cinnamic acid and isobutanol is encouraged to further reduce ecological footprint.
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References
- PubChem Compound Summary for Isobutyl cinnamate PubChem
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH. Wiley
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing. Allured
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID2047646
Physical Properties
| Molecular Weight | 204.269 g/mol🔬 EPA CompTox |
| Density | 1.015 g/cm^3📊 OPERA |
| Boiling Point | 286.579 °C📊 OPERA |
| Melting Point | 10.389 °C📊 OPERA |
| Flash Point | 146.472 °C📊 OPERA |
| Refractive Index | 1.536 Dimensionless📊 OPERA |
| Molar Volume | 200.295 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.565 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.565 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.565 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.66 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.011 mmHg📊 OPERA |
| Surface Tension | 35.922 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.
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