Phenethyl formate (CAS 104-62-1) — Floral Top to Middle Note Fragrance Ingredient
Phenethyl formate
CAS 104-62-1
What Is Phenethyl formate?
Phenethyl formate is a synthetic ester used in fragrances for its rosy, honey-like aroma. It’s found in perfumes, soaps, and flavorings. This ingredient matters because it adds a naturalistic floral sweetness to compositions, often enhancing rose and fruity notes without being overpowering.
Safety Profile
GENERALLY SAFEWhat Does Phenethyl formate Smell Like?
Phenethyl formate opens with a burst of dewy rose petals and ripe pear, evolving into a heart of honey-drenched florals with a whisper of green stems. The dry-down reveals a subtle powdery musk, like the lingering scent on skin after handling fresh roses. Its behavior is linear yet nuanced, maintaining a transparent sweetness throughout.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to amplify the natural rosiness without adding heaviness, creating a luminous floral bouquet.
Provides honeyed sweetness that bridges the floral and tobacco notes seamlessly.
2D Molecular Structure
SMILES: O=COCCC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Phenethyl formate is an ester formed from phenethyl alcohol and formic acid. It’s typically synthesized via Fischer esterification. The molecule’s simple structure belies its powerful organoleptic properties, with the ester linkage providing stability while allowing controlled release of its aromatic characteristics.
Physical & Chemical Properties
| Boiling Point | 198 °C |
|---|---|
| Density | 1.03 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds rosy sweetness |
| Soap/Cosmetic | 0.1-1% | Up to 3% | Stable in alkaline formulations |
Classic Accords
Tip: Use with citrus top notes to prevent cloying sweetness.
Alternatives & Comparisons
When a brighter, fruitier rose note is desired with less honey character.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under current IFRA standards.
RIFM Assessment
RIFM assessment confirms safe use at current levels in fragrance applications.
Sustainability
Synthesized from petrochemical precursors, but used in such small quantities that environmental impact is minimal. No known ecological concerns at typical usage levels.
Explore Phenethyl formate
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 104-62-1Physical Properties
| Molecular Weight | 150.17 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.1🔬 PubChem |
| Boiling Point | 226 °C🔬 EPA CompTox |
| Flash Point | 119.1 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.125💻 Calculated |
| SMILES | C1=CC=C(C=C1)CCOC=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | greenherbalrose• leffingwell |
| Functional Groups | etheraromatic💻 RDKit |
| “This ester is surprisingly rare in perfume formulations, although it probably is available in almost any perfume laboratory. One reason for its infrequent use may be that it does not keep well if it has not been prepared in the proper quality in the first place. If traces of water or formic acid were present from the beginning, the material will not only show pungent and unpleasant odor, but it will deteriorate rapidly and increase further in acidity.”📖 Arctander | |
| Phenethyl formate has a rose-like odor reminiscent of hyacinth and chrysanthemum with a bittersweet flavor suggestive of unripe plum. It is not very stable.📖 Fenaroli | |
Flavor Notes (Arctander)
| “The title ester is also used in flavor compositions, mainly in berry complexes, and in Apple, Apricot, Banana, Cherry, Honey, Peach, Pear, Plum, etc.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.27 ppm📖 van Gemert |
Regulatory Status
| FEMA Number | FEMA 2864⚖️ 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: DTXSID2059300
Physical Properties
| Molecular Weight | 150.177 g/mol🔬 EPA CompTox |
| Density | 1.039 g/cm^3📊 OPERA |
| Boiling Point | 226 °C🔬 EPA CTX |
| Melting Point | -28.525 °C📊 OPERA |
| Flash Point | 119.15 °C🔬 EPA CTX |
| Refractive Index | 1.507 Dimensionless📊 OPERA |
| Molar Volume | 142.438 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.982 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.982 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.982 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.84 Log10 unitless📊 OPERA |
| Water Solubility | 0.007 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 1.056 mmHg📊 OPERA |
| Viscosity | 2.725 cP📊 OPERA |
| Surface Tension | 36.963 dyn/cm📊 OPERA |
| Thermal Conductivity | 146.079 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 | 42.367 cm^3/mol📊 OPERA |
| Polarizability | 16.796 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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