Phenethyl propionate (CAS 122-70-3) — Floral Middle Note Fragrance Ingredient
Phenethyl propionate
CAS 122-70-3
What Is Phenethyl propionate?
Phenethyl propionate is a synthetic fragrance compound that adds a fruity, rosy character to perfumes and flavored products. You’ll encounter it in floral perfumes, soaps, and some food flavorings. This ester matters because it bridges floral and fruity notes, creating a versatile building block for perfumers to craft complex bouquets with natural-feeling depth.
Safety Profile
GENERALLY SAFEWhat Does Phenethyl propionate Smell Like?
Phenethyl propionate bursts with a bright, fruity top note reminiscent of ripe pears dipped in honey, quickly unfolding into a lush rose garden at twilight. The heart carries a candied floralcy with a hint of fermented fruit complexity, like rose petals macerated in sweet wine. Dry-down reveals a whisper of powdery musk and warm vanilla, leaving a delicate trail that feels both sophisticated and comforting. Its evolution mirrors biting into a rosewater-infused Turkish delight dusted with powdered sugar.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a floral-fruity bridge between the aldehydic sparkle and jasmine heart, adding dimension to the iconic bouquet.
Enhances the chypre structure with fruity-rosy facets that complement the oakmoss and patchouli base.
Blends with carnation and spices to create the perfume’s signature ‘floral spice’ accord.
Amplifies the natural rose-jasmine pairing with its candied floral character.
Softens the vanilla-oriental base with fruity-floral luminosity in the heart notes.
2D Molecular Structure
SMILES: CCC(=O)OCCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Phenethyl propionate is an ester formed from phenethyl alcohol and propionic acid. Industrially synthesized via acid-catalyzed esterification, it’s part of the aromatic ester family known for their fruity-floral odors. The molecule lacks chiral centers, making stereochemistry irrelevant for its olfactory properties. Its relatively simple structure (C11H14O2) contributes to excellent stability in formulations while the phenyl ring provides UV resistance compared to aliphatic esters.
Physical & Chemical Properties
| Boiling Point | 245 °C |
|---|---|
| Density | 0.988 g/cm³ |
| Refractive Index | 1.493 |
| Flash Point | >100 °C |
| Vapor Pressure | 0.01 mmHg at 25°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Floral-fruity modifier |
| Soap | 0.5-2% | Up to 3% | Stable in alkaline conditions |
| Candles | 2-4% | Up to 6% | Good heat resistance |
| Flavor | 10-50 ppm | Up to 100 ppm | Fruity enhancer |
Classic Accords
Tip: Use with ionones to create photorealistic rose effects without natural materials’ variability.
Alternatives & Comparisons
More green-fruity (banana-like) with higher volatility; better for top notes when less rosy character is desired.
Similar fruity-floral profile but with heavier jasmine undertones and greater tenacity in base notes.
Honeyed floral character with more powderiness; useful when smoother dry-down is needed.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under current IFRA standards (as of 49th Amendment). No usage limits apply.
RIFM Assessment
RIFM assessment confirms safe use at current industry levels with no sensitization concerns.
Sustainability
As a petrochemical-derived synthetic, phenethyl propionate avoids agricultural land use but depends on fossil feedstocks. Modern production often utilizes green chemistry principles with >90% atom economy. Its longevity in fragrance reduces reapplications compared to more volatile naturals. Future bio-based routes using fermented phenethyl alcohol show promise for sustainable production.
Explore Phenethyl propionate
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781439832275
- Arctander, S. (1969). Perfume and Flavor Chemicals. Vol I-II
- IFRA Standards Library IFRA 49th Amendment
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID6035156
Physical Properties
| Molecular Weight | 178.231 g/mol🔬 EPA CompTox |
| Density | 1.12 g/cm^3🔬 EPA CTX |
| Boiling Point | 240.5 °C🔬 EPA CTX |
| Melting Point | -2.619 °C📊 OPERA |
| Flash Point | 99.65 °C🔬 EPA CTX |
| Refractive Index | 1.499 Dimensionless📊 OPERA |
| Molar Volume | 175.253 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.885 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.885 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.885 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.72 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.046 mmHg🔬 EPA CTX |
| Viscosity | 3.549 cP📊 OPERA |
| Surface Tension | 35.078 dyn/cm📊 OPERA |
| Thermal Conductivity | 139.296 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 | 1 count💻 Computed |
| Molar Refractivity | 51.476 cm^3/mol📊 OPERA |
| Polarizability | 20.406 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.
