Allyl propionate (CAS 2408-20-0) — Sweet Top Note Fragrance Ingredient
Allyl propionate
CAS 2408-20-0
What Is Allyl propionate?
Allyl propionate is a synthetic ester used in fragrances to create fruity, pineapple-like aromas. You’ll encounter it in tropical and fruity perfumes, as well as some food flavorings. This ingredient matters because it adds a bright, juicy top note that blends well with other fruity and floral components, helping create vibrant summer scents.
Safety Profile
GENERALLY SAFEWhat Does Allyl propionate Smell Like?
Allyl propionate bursts with a sharp, effervescent pineapple top note that quickly mellows into a juicy, slightly green fruitiness reminiscent of underripe bananas. As it dries down, it reveals a subtle floral undertone with a faintly sweet, almost rum-like warmth. The transition is rapid – within minutes the bright top fades to a soft fruity whisper that lingers close to the skin.
2D Molecular Structure
SMILES: CCC(=O)OCC=C
Chemistry, Properties & Perfumer Guide
The Chemistry
Allyl propionate is an ester formed from allyl alcohol and propionic acid. As a synthetic molecule, it’s produced through acid-catalyzed esterification. The allyl group contributes to its reactivity and distinctive fruity character. While not found in nature, its structure resembles some naturally occurring fruit esters, explaining its appealing aroma profile.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Fruity top note booster |
| Functional Fragrance | 0.1-1% | Up to 3% | Tropical fruit effects |
Classic Accords
Tip: Use sparingly as it can overwhelm delicate floral notes if overdosed.
Alternatives & Comparisons
More intense pineapple character with better longevity, but requires careful dosing.
Softer fruity effect without the green nuances, better for blending with florals.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to allyl propionate.
RIFM Assessment
Not currently assessed by RIFM.
Sustainability
As a synthetic material, allyl propionate has minimal environmental impact in production. Its synthesis from petrochemical feedstocks raises some sustainability concerns, but its high potency means very small quantities are needed in formulations.
Explore Allyl propionate
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
Ingredient Data Sheet
CAS 2408-20-0Physical Properties
| Molecular Weight | 114.14 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.2🔬 PubChem |
| Boiling Point | 124 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.544💻 Calculated |
| SMILES | CCC(=O)OCC=C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
Odor & Flavor
| Primary Descriptors | appleapricotfruitypearpungenttropical• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
| “Somewhat sharp, sour-fruity odor, suggestive of Apple and Apricot.”📖 Arctander | |
| A colorless liquid with sharp, sour, fruity odor and ethereal fruity (apricot, apple) taste.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Fresh and light, ethereal-fruity taste of somewhat sour type, reminiscent of Apple, Apricot and Pear. Useful in imitation fruit flavors of the "sour" type, such as: Apple, Apricot, Gooseberry, Peach, Pear, Pineapple, Plum, etc.”📖 Arctander |
Regulatory Status
| FEMA Number | FEMA 2040⚖️ FEMA GRAS |
| GRAS Status | Generally Recognized as Safe⚖️ FEMA GRAS |
| IOFI Classification | Artificial📖 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: DTXSID0047668
Physical Properties
| Molecular Weight | 114.144 g/mol🔬 EPA CompTox |
| Density | 0.914 g/cm^3🔬 EPA CTX |
| Boiling Point | 123.6 °C🔬 EPA CTX |
| Melting Point | -26.893 °C📊 OPERA |
| Flash Point | 31.614 °C📊 OPERA |
| Refractive Index | 1.411 Dimensionless📊 OPERA |
| Molar Volume | 126.152 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.55 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.55 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.55 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.68 Log10 unitless📊 OPERA |
| Water Solubility | 0.113 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 15.044 mmHg📊 OPERA |
| Viscosity | 0.624 cP📊 OPERA |
| Surface Tension | 25.691 dyn/cm📊 OPERA |
| Thermal Conductivity | 144.409 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 | 0 count💻 Computed |
| Molar Refractivity | 31.346 cm^3/mol📊 OPERA |
| Polarizability | 12.427 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.
