Butyl butyrate (CAS 109-21-7) — Sweet Top Note Fragrance Ingredient
Butyl butyrate
CAS 109-21-7
What Is Butyl butyrate?
Butyl butyrate is a fruity-smelling ester commonly used in food flavorings and perfumes. You’ll encounter it in pineapple-flavored candies and tropical fruit fragrances. This ingredient matters because it provides an authentic, juicy pineapple note that’s more stable than natural extracts, allowing consistent flavor and scent profiles in products.
Safety Profile
GENERALLY SAFEWhat Does Butyl butyrate Smell Like?
Butyl butyrate bursts with an intense, sun-ripened pineapple aroma – all golden sweetness with a hint of tropical humidity. The top note is almost effervescent, like freshly opened canned pineapple juice. As it evolves, it develops a creamier character reminiscent of piña colada, with subtle vanilla undertones emerging in the dry-down. The scent maintains remarkable persistence for a fruity note, never turning cloying or artificial.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the tropical pineapple-coconut accord, blending seamlessly with lime and rum notes to create a photorealistic Caribbean cocktail effect.
Forms the core pineapple note in this Aventus-inspired fragrance, providing longevity and brightness that natural pineapple extracts couldn’t achieve.
2D Molecular Structure
SMILES: CCCCOC(=O)CCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Butyl butyrate is an ester formed by the condensation of butanol and butyric acid. Industrially produced via acid-catalyzed esterification, it’s a clear, colorless liquid at room temperature. As a small ester (C8H16O2), it exhibits relatively high volatility which contributes to its strong initial impact in fragrance compositions. The molecule lacks chiral centers, making synthetic production straightforward without stereochemical considerations.
Physical & Chemical Properties
| Boiling Point | 166 °C |
|---|---|
| Density | 0.872 g/cm³ |
| Flash Point | 49 °C |
| Refractive Index | 1.406 |
| Solubility | Slightly soluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Tropical fruit accords |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Cleaning products |
| Flavoring | 10-50 ppm | Up to 100 ppm | Fruit flavors |
Classic Accords
Tip: Combine with green notes like stemone to prevent the pineapple note from becoming too candied.
Alternatives & Comparisons
More diffusive with apple-like qualities; use when a lighter, less tropical fruit character is desired.
Longer-lasting with pear nuances; better for base note fruity effects in fine fragrances.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions – unrestricted use in all categories.
RIFM Assessment
RIFM evaluation confirms safe use at current industry levels with wide margins of safety.
Sustainability
Synthetic production from petrochemical sources offers consistent quality with lower land/water use than natural pineapple extracts. However, manufacturers are exploring bio-based routes using fermentation-derived butanol to improve sustainability. Proper containment during production prevents environmental release of this moderately volatile compound.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090772
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID7041702
Physical Properties
| Molecular Weight | 144.214 g/mol🔬 EPA CompTox |
| Density | 0.87 g/cm^3🔬 EPA CTX |
| Boiling Point | 166.342 °C🔬 EPA CTX |
| Melting Point | -91.759 °C🔬 EPA CTX |
| Flash Point | 52.045 °C🔬 EPA CTX |
| Refractive Index | 1.413 Dimensionless📊 OPERA |
| Molar Volume | 164.072 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.16 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.56 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.56 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.58 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0.001 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 3.788 mmHg🔬 EPA CTX |
| Viscosity | 0.977 cP📊 OPERA |
| Surface Tension | 26.365 dyn/cm📊 OPERA |
| Thermal Conductivity | 137.337 mW/(m*K)📊 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 | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 40.887 cm^3/mol📊 OPERA |
| Polarizability | 16.209 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.
