Methyl octanoate (CAS 0111-11-5) — Fruity Top Note Fragrance Ingredient
Methyl octanoate
CAS 0111-11-5
What Is Methyl octanoate?
Methyl octanoate is a fruity ester used in perfumes and food flavorings. It’s what gives many tropical fruit candies their bright, sweet character. This synthetic molecule mimics natural fruit esters found in pineapples and coconuts, providing a cost-effective way to add authentic fruity top notes.
Safety Profile
GENERALLY SAFEWhat Does Methyl octanoate Smell Like?
Methyl octanoate bursts with the juicy brightness of freshly cut pineapple, evolving into a creamy coconut milk heart. The dry-down reveals a subtle waxy undertone reminiscent of sun-warmed beach flora. Unlike simpler fruity esters, it maintains dimensionality for 1-2 hours before dissolving into clean musky traces.
Scent Profile
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Provides the initial pineapple-coconut solar flare that defines this tropical citrus. Chosen for its authentic fruit profile without cloying sweetness.
Forms the cocktail umbrella note in this sun-soaked composition. Blends with tiare flower to create a piña colada illusion.
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl octanoate belongs to the ester family, formed via Fischer esterification of octanoic acid and methanol. This C8 ester demonstrates optimal volatility for top-note applications. While naturally occurring in many fruits, commercial production typically uses petrochemical-derived octanoic acid for consistent quality and yield.
Physical & Chemical Properties
| Boiling Point | 193-194 °C |
|---|---|
| Vapor Pressure | 0.3 mmHg at 25°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Tropical Fragrances | 2-5% | Up to 8% | Core fruity accent |
| Gourmands | 1-3% | Up to 5% | Creamy fruit modifier |
Classic Accords
Tip: Stabilize with antioxidants to prevent ester hydrolysis in alkaline bases.
Alternatives & Comparisons
More wine-like character, preferred for champagne accords. Slightly longer persistence.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. IFRA, REACH, EU Cosmetics Regulation standards update periodically. Consult current IFRA Standards Library before formulating. Not legal or regulatory advice.
IFRA Status
No restrictions under IFRA 51st Amendment.
EU Allergen Declaration
Not listed in EU allergen regulation.
RIFM Assessment
RIFM evaluation complete – no safety concerns at reported use levels.
Sustainability
Synthetic production avoids agricultural land use. Modern catalytic processes achieve >90% atom efficiency. Potential for bio-based octanoic acid from coconut oil derivatives.
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References
- PubChem Compound Summary for Methyl octanoate CID 8091
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Mar 2026.
Report a data errorIngredient Data Sheet
CAS 0111-11-5Odor & Flavor
| “Powerful winey-fruity, Orange-like odor of moderate tenacity.”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 0.3113 ppm (n=4)📖 van Gemert |
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.
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