3-Methylbutyl decanoate (CAS 2306-91-4) — Sweet Middle Note Fragrance Ingredient
3-Methylbutyl decanoate
CAS 2306-91-4
What Is 3-Methylbutyl decanoate?
3-Methylbutyl decanoate is a synthetic fragrance ingredient used to add fruity, waxy notes to perfumes and personal care products. You’ll encounter it in body lotions, shampoos, and fine fragrances where it contributes to tropical or banana-like accords. This ester matters because it provides long-lasting fruity character without being overly sweet, making it valuable for modern fragrance designs that balance freshness with tenacity.
Safety Profile
GENERALLY SAFEWhat Does 3-Methylbutyl decanoate Smell Like?
3-Methylbutyl decanoate opens with a burst of ripe banana peel and pineapple skin, transitioning to a waxy, slightly floral heart reminiscent of gardenia petals. The dry-down reveals a creamy coconut milk character with subtle hints of overripe pear. Unlike simpler fruit esters, it maintains dimensional complexity for hours, never collapsing into cloying sweetness. The overall effect is tropical yet sophisticated – imagine banana leaves drying in the sun on a Hawaiian veranda.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the coconut-lime accord, providing a creamy tropical foundation that prevents the citrus notes from becoming too sharp.
Contributes to the sun-warmed skin effect, blending with white florals to create a sunscreen-like nostalgia without literal coconut references.
2D Molecular Structure
SMILES: CCCCCCCCCC(=O)OCCC(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
3-Methylbutyl decanoate belongs to the ester class, formed through Fischer esterification between 3-methyl-1-butanol (isoamyl alcohol) and decanoic acid. While not found in significant quantities in nature, related esters occur in banana, pear, and passionfruit. Industrial synthesis typically employs acid catalysis under controlled conditions to maximize yield. The branched isoamyl group introduces steric effects that influence volatility and odor perception compared to straight-chain analogs.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | ~280 °C (estimated) |
| Density | ~0.86 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Tropical fruit accords |
| Personal Care | 0.5-1% | Up to 2% | Shampoos, body washes |
Classic Accords
Tip: Use with citrus top notes to prevent the fruity character from becoming overly heavy in the dry-down.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to this material.
RIFM Assessment
Considered safe for current fragrance use levels based on structural analogs.
Sustainability
As a synthetic material, 3-Methylbutyl decanoate avoids agricultural land use concerns. Production typically uses petrochemical feedstocks, though bio-based routes from fermented isoamyl alcohol are being explored. The ester’s tenacity reduces the need for reapplication in finished products.
Explore 3-Methylbutyl decanoate
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090860
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 2306-91-4Physical Properties
| Molecular Weight | 242.4 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 5.9🔬 PubChem |
| Boiling Point | 286 °C🔬 EPA CompTox |
| log Kp (skin permeability) | 0.01💻 Calculated |
| SMILES | CCCCCCCCCC(=O)OCCC(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
Odor & Flavor
| Primary Descriptors | bananafruitygreenwaxy• leffingwell |
| Functional Groups | esterether💻 RDKit |
| “Oily-winey, brandy-like odor with mild fruity undertones.”📖 Arctander | |
Flavor Notes (Arctander)
| “Brandy-Rum-like taste in extreme dilution, otherwise fatty-oily, also reminiscent of Hazelnut and Coconut. This ester finds some use in flavor compositions for imitation Apple, Arak, Brandy, Rum, Quince, Pear, etc., usually applied in”📖 Arctander |
Sensory Thresholds
| Odor Detection Threshold | 4.5122 ppm (n=2)📖 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.
Physicochemical Properties
DTXSID: DTXSID7062320
Physical Properties
| Molecular Weight | 242.403 g/mol🔬 EPA CompTox |
| Density | 0.856 g/cm^3📊 OPERA |
| Boiling Point | 286.5 °C🔬 EPA CTX |
| Melting Point | -20.52 °C📊 OPERA |
| Flash Point | 121.467 °C📊 OPERA |
| Refractive Index | 1.436 Dimensionless📊 OPERA |
| Molar Volume | 279.996 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 6.126 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 6.126 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 6.126 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.44 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.003 mmHg📊 OPERA |
| Viscosity | 4.823 cP📊 OPERA |
| Surface Tension | 28.017 dyn/cm📊 OPERA |
| Thermal Conductivity | 142.035 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 | 11 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 73.275 cm^3/mol📊 OPERA |
| Polarizability | 29.049 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.
