Phenethyl butyrate (CAS 103-52-6) — Sweet Middle Note Fragrance Ingredient
Phenethyl butyrate
CAS 103-52-6
What Is Phenethyl butyrate?
Phenethyl butyrate is a synthetic fragrance ingredient commonly found in floral and fruity perfumes. It adds a sweet, rosy, and slightly fruity character to fragrances. This ester is valued for its ability to enhance floral bouquets while providing subtle fruity nuances that make scents more approachable and wearable.
Safety Profile
GENERALLY SAFEWhat Does Phenethyl butyrate Smell Like?
Phenethyl butyrate opens with a burst of ripe pear and juicy peach, quickly settling into a heart of velvety rose petals dusted with honey. The dry-down reveals a soft, powdery musk reminiscent of vintage perfumes. Its evolution is smooth and linear, maintaining a delicate balance between fruity sweetness and floral elegance without becoming cloying.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a modifier to enhance the floral bouquet, adding a subtle fruity nuance that softens the aldehydic top notes.
Provides a sweet, rosy facet that complements the chypre structure, bridging the gap between floral and fruity elements.
2D Molecular Structure
SMILES: CCCC(=O)OCCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Phenethyl butyrate is an ester formed by the condensation of phenethyl alcohol and butyric acid. It belongs to the class of aromatic esters commonly used in perfumery. Synthesized through Fischer esterification, this compound is prized for its stability and longevity in fragrance formulations.
Physical & Chemical Properties
| Boiling Point | 232 °C |
|---|---|
| Density | 0.99 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Floral-fruity modifier |
| Soap | 0.5-2% | Up to 3% | Adds sweetness |
Classic Accords
Tip: Use to soften harsh floral notes and add dimensionality to fruity compositions.
Alternatives & Comparisons
Offers a greener, more diffusive floral character with less fruity sweetness.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply to phenethyl butyrate.
RIFM Assessment
RIFM has assessed phenethyl butyrate as safe for current use levels in fragrance applications.
Sustainability
As a synthetic material, phenethyl butyrate has consistent quality and doesn’t require agricultural resources. Production can be optimized for minimal environmental impact through green chemistry principles.
Explore Phenethyl butyrate
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH. ISBN 978-3-527-30364-6
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 103-52-6Physical Properties
| Molecular Weight | 192.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.1🔬 PubChem |
| Boiling Point | 238 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0143 mmHg @ 25°C📊 OPERA |
| Flash Point | 109.6 °C🔬 EPA CompTox |
| Involatility Index | 0.0011💻 Calculated |
| log Kp (skin permeability) | -1.672💻 Calculated |
| SMILES | CCCC(=O)OCCC1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | floralfruitygreenrose• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “Fine and natural-rosy, warm, floral-fruity odor of moderate tenacity. The material must be free from Butyric acid, and if it is properly cleaned, it keeps well under normal storage conditions. Yet, it is generally considered less stable than the iso-Butyrate (see next).”📖 Arctander | |
| Phenethyl butyrate has a rose-like fragrance and a sweet taste, suggestive of honey. It is not as stable as the isobutyrate. This compound is also reported as having a strawberry, grape, sweet, floral aroma.📖 Fenaroli | |
Flavor Notes (Arctander)
| “The title ester is used in flavor compositions for imitation Strawberry, Butter, Caramel, Apple, Peach, Pineapple, Tobacco flavors, Honey bases, Floral bases, etc. in concentrations equal to 3 to 15 ppm in the finished consumer product.”📖 Arctander |
Regulatory Status
| FEMA Number | FEMA 2861⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| IOFI Classification | Nature Identical📖 Fenaroli |
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: DTXSID6047604
Physical Properties
| Molecular Weight | 192.258 g/mol🔬 EPA CompTox |
| Density | 1.003 g/cm^3🔬 EPA CTX |
| Boiling Point | 238 °C🔬 EPA CTX |
| Melting Point | 2.527 °C📊 OPERA |
| Flash Point | 109.867 °C🔬 EPA CTX |
| Refractive Index | 1.497 Dimensionless📊 OPERA |
| Molar Volume | 191.76 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.48 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.278 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.278 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.32 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.014 mmHg🔬 EPA CTX |
| Viscosity | 4.112 cP📊 OPERA |
| Surface Tension | 35.218 dyn/cm📊 OPERA |
| Thermal Conductivity | 141.077 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.
