Amyl octanoate (CAS 638-25-5) — Sweet Top Note Fragrance Ingredient
Amyl octanoate
CAS 638-25-5
What Is Amyl octanoate?
Amyl octanoate is a synthetic ester used in perfumery to create fruity, tropical aromas. You’ll encounter it in pineapple-flavored foods and tropical-themed fragrances. This ingredient matters because it provides authentic fruity notes without relying on natural extracts, making fragrances more consistent and affordable.
Safety Profile
GENERALLY SAFEWhat Does Amyl octanoate Smell Like?
Amyl octanoate bursts with a juicy, ripe pineapple character – think golden tropical fruit dripping with nectar. The initial impression is intensely sweet and slightly waxy, like candied pineapple chunks. As it evolves, a creamy coconut nuance emerges, rounding out the sharp fruitiness. The dry-down reveals a soft, slightly green undertone reminiscent of pineapple leaves, leaving a clean fruity trail that lasts moderately.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to craft the photorealistic pineapple top note that defines this tropical masterpiece, blending seamlessly with lime and coconut for a vacation-in-a-bottle effect.
Contributes to the signature pineapple opening that made this fragrance iconic, pairing with blackcurrant and birch for a modern fruity-woody accord.
2D Molecular Structure
SMILES: CCCCCCCC(=O)OCCCCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Amyl octanoate is an ester formed from amyl alcohol and octanoic acid. Industrially produced via Fischer esterification with acid catalysis, this compound belongs to the class of fatty acid esters. While not found in significant quantities in nature, its molecular structure mimics fruity volatiles found in tropical fruits. The straight-chain aliphatic structure contributes to its clean, non-polar character and moderate volatility.
Physical & Chemical Properties
| Boiling Point | 198-200 °C |
|---|---|
| Density | 0.86 g/cm³ |
| Flash Point | 85 °C |
| Refractive Index | 1.425 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Tropical fruit accords |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Pineapple flavors |
| Body Care | 0.2-1% | Up to 3% | Summer products |
Classic Accords
Tip: Use with citrus oils to brighten tropical compositions and prevent cloying sweetness.
Alternatives & Comparisons
For a sharper, more acidic pineapple note with less waxiness. Better for fresh applications.
When a more candied pineapple effect is desired, with stronger diffusion.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply to amyl octanoate (as of Amendment 49).
RIFM Assessment
RIFM evaluation confirms safe use at current industry levels.
Sustainability
As a synthetic material, amyl octanoate doesn’t require agricultural land or harvest of natural resources. Production from petrochemical feedstocks raises carbon footprint concerns, but its high potency means small quantities suffice. Future bio-based routes using fermented alcohols could improve sustainability.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090772
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing. Vol II, No. 200
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 638-25-5Physical Properties
| Molecular Weight | 214.34 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.9🔬 PubChem |
| Boiling Point | 260.2 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0062 mmHg @ 25°C📊 OPERA |
| Flash Point | 109.6 °C🔬 EPA CompTox |
| Involatility Index | 0.0005💻 Calculated |
| log Kp (skin permeability) | -0.528💻 Calculated |
| SMILES | CCCCCCCC(=O)OCCCCC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 5.3 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | fattyfloralfruitysweet• leffingwell |
| Functional Groups | esterether💻 RDKit |
| “Sweet-oily, fruity odor with distinct "perfumey" floralness: Orris-Elderflower notes, under a Banana-like topnote.”📖 Arctander | |
| Amyl octanoate has an odor suggestive of orris.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Insoluble in water, soluble in alcohol, essential oils, perfume and flavor materials. Finds some use in flavor compositions for imitation Chocolate, Fruit (tutti-frutti, etc.), Liqueur and Brandy flavors, etc.”📖 Arctander |
Regulatory Status
| FEMA Number | FEMA 2079⚖️ 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: DTXSID5060932
Physical Properties
| Molecular Weight | 214.349 g/mol🔬 EPA CompTox |
| Density | 0.868 g/cm^3📊 OPERA |
| Boiling Point | 260.2 °C🔬 EPA CTX |
| Melting Point | -34.74 °C🔬 EPA CTX |
| Flash Point | 109.128 °C📊 OPERA |
| Refractive Index | 1.433 Dimensionless📊 OPERA |
| Molar Volume | 246.605 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.46 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 5.46 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.46 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.9 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.01 mmHg📊 OPERA |
| Viscosity | 2.752 cP📊 OPERA |
| Surface Tension | 28.371 dyn/cm📊 OPERA |
| Thermal Conductivity | 141.198 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 | 10 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 64.051 cm^3/mol📊 OPERA |
| Polarizability | 25.392 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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