Allyl nonanoate (CAS 7493-72-3) — Sweet Top to middle Note Fragrance Ingredient
Allyl nonanoate
CAS 7493-72-3
What Is Allyl nonanoate?
Allyl nonanoate is a synthetic fragrance ingredient that creates fruity, pineapple-like aromas. It’s commonly found in tropical fruit-flavored products and some perfumes. This ester adds a juicy, ripe character that’s particularly useful for creating realistic tropical fruit accords in both fine fragrances and functional products like soaps and candles.
Safety Profile
GENERALLY SAFEWhat Does Allyl nonanoate Smell Like?
Allyl nonanoate bursts with a bright, tropical pineapple top note that’s both juicy and slightly green. The initial impression is like biting into a perfectly ripe golden pineapple, with a sweet-tart balance that evolves into a smoother, creamier coconut-like heart. As it dries down, it reveals a subtle waxy undertone reminiscent of pineapple skin, with just a hint of green apple freshness lingering in the base. The overall effect is intensely fruity without being cloying, making it excellent for creating realistic tropical fruit accords.
2D Molecular Structure
SMILES: CCCCCCCCC(=O)OCC=C
Chemistry, Properties & Perfumer Guide
The Chemistry
Allyl nonanoate is an ester formed by the condensation of allyl alcohol and nonanoic acid. As a synthetic molecule, it’s typically produced through acid-catalyzed esterification. The allyl group contributes to its distinctive fruity character, while the nine-carbon chain provides the waxy, tropical nuances. Being a simple ester, it lacks chirality centers but benefits from careful purification to remove any residual acids or alcohols that might affect its odor profile.
Physical & Chemical Properties
| Boiling Point | Approx. 210-215 °C |
|---|---|
| Density | Approx. 0.88 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Tropical fruit accords |
| Functional Fragrance | 1-3% | Up to 8% | Soaps and detergents |
| Flavor | 10-50 ppm | Up to 100 ppm | Tropical fruit flavors |
Classic Accords
Tip: Use in tropical fruit accords at 0.5-1% to add authentic pineapple character without overwhelming other notes.
Alternatives & Comparisons
Offers similar pineapple character but with more floral, rosy undertones and better stability in alkaline formulations.
Provides fruity, waxy notes without the green allylic character, better for softer fruit accords.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
GHS Classification
RIFM Assessment
Evaluated by RIFM with no significant safety concerns at current usage levels.
Sustainability
As a synthetic ingredient, allyl nonanoate doesn’t rely on agricultural production. Its environmental impact comes primarily from petrochemical feedstocks and energy use in manufacturing. Modern production methods aim to minimize waste and optimize yields. Being entirely synthetic, it avoids any concerns about overharvesting of natural resources.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID3024447
Physical Properties
| Molecular Weight | 198.306 g/mol🔬 EPA CompTox |
| Density | 0.859 g/cm^3🔬 EPA CTX |
| Boiling Point | 247.203 °C📊 OPERA |
| Melting Point | -43.64 °C📊 OPERA |
| Flash Point | 28.889 °C🔬 EPA CTX |
| Refractive Index | 1.438 Dimensionless📊 OPERA |
| Molar Volume | 225.192 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.538 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.538 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.538 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.81 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.021 mmHg📊 OPERA |
| Viscosity | 2.261 cP📊 OPERA |
| Surface Tension | 28.117 dyn/cm📊 OPERA |
| Thermal Conductivity | 141.744 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 | 9 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 59.143 cm^3/mol📊 OPERA |
| Polarizability | 23.446 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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