Butyl phenylacetate (CAS 122-43-0) — Sweet Heart Note Fragrance Ingredient
Butyl phenylacetate
CAS 122-43-0
What Is Butyl phenylacetate?
Butyl phenylacetate is a synthetic fragrance ingredient commonly used in perfumes, soaps, and personal care products. It contributes a sweet, honey-like floral aroma with fruity nuances. This versatile molecule helps create balanced floral accords and enhances the overall richness of fragrance compositions.
Safety Profile
GENERALLY SAFEWhat Does Butyl phenylacetate Smell Like?
Butyl phenylacetate unfolds with an initial burst of sweet, honeyed florals reminiscent of orange blossom absolute. The heart reveals a delicate fruity character, like ripe pears dipped in wildflower honey, with subtle rosy undertones. As it dries down, it maintains a persistent sweetness while developing a mild balsamic warmth that blends seamlessly with woody base notes. The overall effect is a soft, diffusive floralcy that adds body and radiance to compositions without overpowering other elements.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a honeyed floral bridge between the top notes and rich ylang-ylang heart, enhancing the fragrance’s golden, sun-kissed floral character.
Contributes to the candyfloss-like floral sweetness that defines this modern gourmand-floral hybrid, smoothing the transition between citrus top notes and patchouli base.
2D Molecular Structure
SMILES: CCCCOC(=O)CC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Butyl phenylacetate is an ester formed by the condensation of phenylacetic acid with butanol. Industrially, it’s synthesized through acid-catalyzed esterification under controlled conditions. The molecule features a benzene ring connected to an ester group, giving it both aromatic and polar characteristics. Its relatively simple structure makes it stable in various pH conditions, contributing to its widespread use in different product types.
Physical & Chemical Properties
| Molecular Weight | 192.25 g/mol |
|---|---|
| Boiling Point | 245 °C |
| Density | 1.0 g/cm³ |
| Refractive Index | 1.488-1.492 |
| Flash Point | >100 °C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | 0.5-5% | Floral modifier |
| Soap | 0.5-1.5% | 0.2-2% | Stable in alkaline conditions |
Classic Accords
Tip: Use to add diffuse sweetness when phenylethyl alcohol feels too sharp.
Alternatives & Comparisons
More tenacious with similar profile but heavier floral character, better for base note applications.
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
Considered safe as used in fragrance compositions according to RIFM assessments.
Sustainability
As a synthetic material, butyl phenylacetate has consistent quality without natural sourcing constraints. Production typically follows green chemistry principles with high atom economy in esterification processes.
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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: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID9059541
Physical Properties
| Molecular Weight | 192.258 g/mol🔬 EPA CompTox |
| Density | 1.004 g/cm^3📊 OPERA |
| Boiling Point | 254.62 °C📊 OPERA |
| Melting Point | -2.068 °C📊 OPERA |
| Flash Point | 105.709 °C📊 OPERA |
| Refractive Index | 1.497 Dimensionless📊 OPERA |
| Molar Volume | 191.76 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.326 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.326 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.326 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.32 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.018 mmHg📊 OPERA |
| Viscosity | 3.898 cP📊 OPERA |
| Surface Tension | 35.235 dyn/cm📊 OPERA |
| Thermal Conductivity | 141.19 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 | 1 count💻 Computed |
| Molar Refractivity | 56.108 cm^3/mol📊 OPERA |
| Polarizability | 22.243 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.
