Phenylethyl Acetate (CAS 103-45-7) — Floral Top Note Fragrance Ingredient
Phenylethyl Acetate
CAS 103-45-7
What Is Phenylethyl Acetate?
Phenylethyl acetate is a floral-scented synthetic compound found in many perfumes and personal care products. It’s often used to create rose-like aromas in soaps, lotions, and fine fragrances. This ingredient matters because it provides an affordable, stable alternative to natural rose extracts while delivering a similar olfactory profile. It’s a workhorse in modern perfumery for creating floral bouquets.
Safety Profile
GENERALLY SAFEWhat Does Phenylethyl Acetate Smell Like?
Phenylethyl acetate greets the nose with a bright, dewy rose petal freshness – imagine morning roses with a hint of green stem. The top note has a slightly fruity undertone reminiscent of pear skins. As it evolves, it reveals a honeyed sweetness akin to rosewater candies. The dry-down maintains a clean floralcy without becoming powdery, leaving a delicate trail that’s more refined than natural rose absolute. Its synthetic nature gives it a consistent, almost crystalline floral character compared to the complex nuances of natural rose extracts.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Provides the candied rose heart in this modern floral, giving longevity and diffusion to the peony-rose accord while maintaining a fresh, youthful character.
Used as a rose modifier in the floral bouquet, adding brightness and lift to balance the patchouli base.
Contributes to the abstract rose concept, blending with cumin and cedar to create an unconventional floralcy that avoids traditional rose clichés.
2D Molecular Structure
SMILES: CC(=O)OCCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Phenylethyl acetate is an ester formed by the condensation of phenethyl alcohol and acetic acid. It belongs to the phenylpropanoid class of aromatic compounds. Industrially, it’s synthesized via direct esterification using acid catalysts. The molecule lacks chirality, making synthesis straightforward without stereochemical considerations. Its stability comes from the aromatic ring shielding the ester group from hydrolysis, allowing excellent shelf life in formulations.
Physical & Chemical Properties
| Boiling Point | 232 °C |
|---|---|
| Density | 1.033 g/cm³ |
| Refractive Index | 1.499-1.503 |
| Flash Point | 100 °C |
| Solubility | 1:3 in 70% alcohol |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | 0.5-10% | Rose/floral modifier |
| Soap | 0.5-2% | 0.1-3% | Stable in alkaline media |
| Candles | 0.3-1% | 0.1-2% | Good heat stability |
Classic Accords
Tip: Use with ionones to create a fuller rose effect while avoiding a ‘synthetic rose’ character.
Alternatives & Comparisons
When a less sweet, more natural rose character is desired, though it has lower tenacity.
For adding linalool-like freshness to rose accords with more diffusion.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. IFRA, REACH, EU Cosmetics Regulation standards update periodically. Consult current IFRA Standards Library before formulating. Not legal or regulatory advice.
IFRA Status
No restrictions under IFRA standards (2023).
RIFM Assessment
RIFM evaluation confirms safe use at current industry levels (FEMA GRAS 2857).
Sustainability
As a synthetic material, phenylethyl acetate reduces pressure on natural rose cultivation while offering consistent quality. Production typically uses petrochemical feedstocks, though some manufacturers are exploring bio-based routes using fermented phenethyl alcohol. Its high odor potency means small quantities are effective, reducing environmental load compared to natural extracts.
Explore Phenylethyl Acetate
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References
- Bickers et al. (2003). A toxicologic and dermatologic assessment of aryl alkyl alcohols. Food and Chemical Toxicology. PMID 14505643
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Report a data errorIngredient Data Sheet
CAS 103-45-7Physical Properties
| Molecular Weight | 164.2 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.3🔬 PubChem |
| Boiling Point | 238 °C🔬 EPA CompTox |
| Vapor Pressure | 0.075 mmHg @ 25°C📊 OPERA |
| Flash Point | 101 °C🔬 EPA CompTox |
| Involatility Index | 0.0063💻 Calculated |
| log Kp (skin permeability) | -2.069💻 Calculated |
| SMILES | CC(=O)OCCC1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 1.8 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | fruityhoneyrosesweet• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “Very sweet, rosy-fruity, honey-like odor of moderate to poor tenacity. The fruity notes are mostly peachy with a pleasant leafy-green tonality, the rosy notes very sweet, almost towards Gardenia. Variations in the odor of this material will naturally follow the pattern”📖 Arctander | |
| Phenethyl acetate has a floral odor reminiscent of rose with a honey-like undertone and a sweet, fruit-like taste reminiscent of raspberry.📖 Fenaroli | |
Flavor Notes (Arctander)
| “The taste at concentrations below 10 ppm is sweet, fruity-honey-like, remotely Raspberry-like, but at higher levels rather "perfumey" not quite attractive.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.4762 ppm (n=22)📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2857⚖️ 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: DTXSID7044506
Physical Properties
| Molecular Weight | 164.204 g/mol🔬 EPA CompTox |
| Density | 1.032 g/cm^3🔬 EPA CTX |
| Boiling Point | 236.533 °C🔬 EPA CTX |
| Melting Point | -31.044 °C🔬 EPA CTX |
| Flash Point | 101.35 °C🔬 EPA CTX |
| Refractive Index | 1.502 Dimensionless📊 OPERA |
| Molar Volume | 158.746 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.31 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.327 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.327 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.23 Log10 unitless📊 OPERA |
| Water Solubility | 0.006 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.068 mmHg🔬 EPA CTX |
| Viscosity | 3.116 cP📊 OPERA |
| Surface Tension | 35.458 dyn/cm📊 OPERA |
| Thermal Conductivity | 139.252 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 | 3 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 46.843 cm^3/mol📊 OPERA |
| Polarizability | 18.57 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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