Phenethyl benzoate (CAS 94-47-3) — Sweet Heart Note Fragrance Ingredient
Phenethyl benzoate
CAS 94-47-3
What Is Phenethyl benzoate?
Phenethyl benzoate is a synthetic fragrance ingredient with a sweet, floral character reminiscent of honey and roses. You’ll encounter it in perfumes, soaps, and candles where it adds warmth and depth. This ester matters because it bridges floral and balsamic accords, offering perfumers a versatile building block that enhances longevity without overpowering delicate compositions.
Safety Profile
GENERALLY SAFEWhat Does Phenethyl benzoate Smell Like?
Phenethyl benzoate unfolds with an initial burst of honeyed sweetness, like crystallized rose petals dipped in warm beeswax. The heart develops a velvety floralcy with nuances of dried apricot and benzoin resin. As it dries down, it reveals a soft balsamic character that lingers close to the skin—imagine antique rose potpourri aging gracefully in a cedar-lined drawer. Its moderate volatility allows it to serve as both a heart note modifier and a subtle fixative.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to bridge the citrus top notes and vanilla base, adding a honeyed floral depth that enhances Shalimar’s legendary oriental character.
Contributes to the narcotic floral bouquet, blending with tuberose and plum to create Poison’s signature opulent sweetness.
2D Molecular Structure
SMILES: O=C(OCCC1=CC=CC=C1)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Phenethyl benzoate is an ester formed by the condensation of phenethyl alcohol and benzoic acid. Industrially produced via acid-catalyzed esterification, it’s a stable molecule with excellent shelf life. The benzene ring contributes to its balsamic character while the phenethyl group provides floral sweetness. Unlike some esters, it lacks chirality concerns due to its symmetrical structure.
Physical & Chemical Properties
| Boiling Point | ~300 °C (estimated) |
|---|---|
| State | Colorless to pale yellow liquid |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Floral-balsamic modifier |
| Soap | 0.5-1% | Up to 2% | Stable in alkaline systems |
Classic Accords
Tip: Use to round out sharp floral notes and add natural-seeming sweetness without sugariness.
Alternatives & Comparisons
More balsamic with less floral character; better for fixing power but lacks honeyed nuances.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA standards.
RIFM Assessment
Recognized as safe for current use levels by RIFM.
Sustainability
As a synthetic material, phenethyl benzoate has minimal environmental impact during production. Its efficient synthesis from readily available precursors makes it more sustainable than some natural alternatives requiring agricultural resources.
Explore Phenethyl benzoate
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References
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 94-47-3Physical Properties
| Molecular Weight | 226.27 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4🔬 PubChem |
| Boiling Point | 189 °C🔬 EPA CompTox |
| Flash Point | 109 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.24💻 Calculated |
| SMILES | C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicfloralhoneyrose• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “The odor of this ester may not impress the observer on the first encounter, but in use it displays very attractive effects, other than the fixative effect.”📖 Arctander | |
| Phenethyl benzoate has a sweet, rose and honey-like odor. It is used in trace quantities for fixation of honey, strawberry and other fruit preserves.📖 Fenaroli | |
Flavor Notes (Arctander)
| “This material is also used in flavor compositions in minute traces for fixation of Honey, Strawberry and various fruit types.”📖 Arctander |
Regulatory Status
| FEMA Number | FEMA 2860⚖️ 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: DTXSID9047590
Physical Properties
| Molecular Weight | 226.275 g/mol🔬 EPA CompTox |
| Density | 1.1 g/cm^3🔬 EPA CTX |
| Boiling Point | 334.003 °C📊 OPERA |
| Melting Point | 52.013 °C📊 OPERA |
| Flash Point | 109 °C🔬 EPA CTX |
| Refractive Index | 1.57 Dimensionless📊 OPERA |
| Molar Volume | 204.535 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.989 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.973 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.973 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.78 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 10.426 cP📊 OPERA |
| Surface Tension | 42.139 dyn/cm📊 OPERA |
| Thermal Conductivity | 142.75 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 | 4 count💻 Computed |
| Aromatic Rings | 2 count💻 Computed |
| Molar Refractivity | 67.146 cm^3/mol📊 OPERA |
| Polarizability | 26.619 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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