3-Phenylpropyl acetate (CAS 122-72-5) — Floral Middle Note Fragrance Ingredient
3-Phenylpropyl acetate
CAS 122-72-5
What Is 3-Phenylpropyl acetate?
3-Phenylpropyl acetate is a synthetic fragrance ingredient commonly found in perfumes and scented products. It contributes a sweet, floral, and slightly fruity aroma that enhances various fragrance compositions. This ingredient matters because it adds depth and longevity to scents, often used to create rich, complex floral bouquets or to round out fruity accords in personal care products.
Safety Profile
GENERALLY SAFEWhat Does 3-Phenylpropyl acetate Smell Like?
3-Phenylpropyl acetate opens with a bright, sweet floral character reminiscent of hyacinth and lilac, underscored by a subtle fruity nuance akin to ripe pears. As it evolves, the heart reveals a honeyed, slightly powdery facet that blends seamlessly into the base, where a soft, musky warmth lingers. The dry-down is smooth and persistent, leaving a delicate floral trail that enhances without overpowering.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the floral bouquet, adding a sweet, honeyed nuance that complements the aldehydic top notes and powdery base.
Adds depth to the floral heart, blending with ylang-ylang and rose for a rich, rounded effect.
Contributes to the white floral accord, enhancing the naturalistic sweetness of tuberose and jasmine.
Used to round out the gourmand facets, adding a floral sweetness that balances the vanilla and praline.
Enhances the fresh floral character, providing a soft, honeyed undertone to the violet and strawberry top notes.
2D Molecular Structure
SMILES: CC(=O)OCCCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
3-Phenylpropyl acetate is an ester derived from 3-phenylpropanol and acetic acid. It is typically synthesized via esterification, where the alcohol reacts with acetic anhydride or acetyl chloride in the presence of a catalyst. The molecule features a phenyl group attached to a three-carbon chain, terminated by an acetate ester. This structure contributes to its sweet, floral odor profile and moderate volatility. The ester linkage makes it relatively stable in formulations, though it can hydrolyze under strongly acidic or basic conditions.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds floral sweetness |
| Soap | 0.5-2% | Up to 3% | Enhances floral accords |
| Detergent | 0.1-0.5% | Up to 1% | Provides lasting floral note |
| Candle | 2-6% | Up to 8% | Adds depth to floral blends |
Classic Accords
Tip: Use in floral accords to add sweetness and depth without overpowering delicate top notes.
Alternatives & Comparisons
A more cost-effective floral ester with a similar sweet, floral character but less honeyed depth.
Offers a brighter, rosier floral note with less fruity nuance, suitable for lighter compositions.
Provides a spicy, balsamic twist to floral accords, adding complexity.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply to 3-Phenylpropyl acetate under current guidelines.
RIFM Assessment
RIFM has assessed 3-Phenylpropyl acetate as safe for use in current fragrance applications.
Sustainability
As a synthetic ingredient, 3-Phenylpropyl acetate is produced through controlled chemical processes, reducing environmental impact compared to natural extraction. Its synthesis avoids agricultural land use and seasonal variability, ensuring consistent quality and supply. However, like all synthetics, its production relies on petrochemical feedstocks, prompting ongoing research into bio-based alternatives.
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References
- PubChem. 3-Phenylpropyl acetate. PubChem
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing.
- 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 errorIngredient Data Sheet
CAS 122-72-5Physical Properties
| Molecular Weight | 178.23 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.5🔬 PubChem |
| Boiling Point | 244 °C🔬 EPA CompTox |
| Flash Point | 99 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.012💻 Calculated |
| SMILES | CC(=O)OCCCC1=CC=CC=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicfloralhoneyspicy• leffingwell |
| Functional Groups | esteretheraromatic💻 RDKit |
| “This ester is used in perfume compositions as a modifier in Hyacinth, Rose, Oriental bases, Lilac and Lily, Reseda, etc. and it blends well with the "rose alcohols", the Linalool family, Styrax and Ylang, Labdanum, Amyl salicylate, etc. Its neutral sweetness makes it very versatile, but it does not lend much odor power to a composition.”📖 Arctander | |
| 3-Phenylpropyl acetate has a characteristic floral, spicy odor reminiscent of phenylpropyl alcohol and of geranyl acetate with a bittersweet, burning flavor suggestive of currant.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Pleasant, balsamic-fruity sweet taste in concentrations below 20 ppm. Smaller amounts are used in spice flavors, fruit complexes and certain types of berry flavor, including Cherry. The concentration used in such flavors is equivalent to 0.5 to 10 ppm in the functional product.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.111 ppm📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2890⚖️ 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: DTXSID2047648
Physical Properties
| Molecular Weight | 178.231 g/mol🔬 EPA CompTox |
| Density | 1.014 g/cm^3🔬 EPA CTX |
| Boiling Point | 220.333 °C🔬 EPA CTX |
| Melting Point | -40 °C🔬 EPA CTX |
| Flash Point | 99.5 °C🔬 EPA CTX |
| Refractive Index | 1.499 Dimensionless📊 OPERA |
| Molar Volume | 175.253 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.862 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.862 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.862 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.72 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.012 mmHg📊 OPERA |
| Viscosity | 3.513 cP📊 OPERA |
| Surface Tension | 35.099 dyn/cm📊 OPERA |
| Thermal Conductivity | 140.231 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.
