Methyl decanoate (CAS 110-42-9) — Sweet Top to Middle Note Fragrance Ingredient
Methyl decanoate
CAS 110-42-9
What Is Methyl decanoate?
Methyl decanoate is a synthetic ester commonly used in perfumery to create fruity and waxy notes. You’ll encounter it in fragrances aiming for tropical or creamy effects, often in body care products. This ingredient matters because it provides a cost-effective way to achieve natural-smelling fruit notes without relying on expensive natural extracts. It’s particularly useful for creating long-lasting tropical accords in sunscreens and summer fragrances.
Safety Profile
GENERALLY SAFEWhat Does Methyl decanoate Smell Like?
Methyl decanoate presents a dual character – initially bursting with a bright, fruity top note reminiscent of pineapple skin and ripe guava, then settling into a creamy, waxy heart that evokes beeswax candles and coconut flesh. The dry-down reveals a subtle fatty undertone that blends seamlessly with woody base notes. Unlike sharper fruit esters, this molecule maintains a rounded smoothness throughout its evolution, making it ideal for tropical compositions where harshness would be undesirable.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to enhance the tropical coconut-lime accord, providing a creamy counterpoint to the citrus top notes while maintaining the fragrance’s solar character.
Contributes to the sun-warmed skin effect, blending with white florals to create a luxurious tropical creaminess without overpowering the delicate floral heart.
2D Molecular Structure
SMILES: CCCCCCCCCC(=O)OC
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl decanoate belongs to the ester class, specifically a methyl ester of decanoic acid. While found in trace amounts in some fruits, commercial production typically involves esterification of methanol with decanoic acid under acidic conditions. The molecule lacks chiral centers, making stereochemistry irrelevant for its olfactory properties. Its relatively large size contributes to better longevity compared to smaller fruit esters while maintaining good volatility for top-note applications.
Physical & Chemical Properties
| Boiling Point | 224 °C |
|---|---|
| Density | 0.873 g/cm³ |
| Flash Point | 93 °C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds tropical fruit nuances |
| Body Care | 0.1-1% | Up to 3% | Enhances creaminess in lotions |
Classic Accords
Tip: Use in conjunction with gamma-decalactone to boost peach-like characteristics while maintaining freshness.
Alternatives & Comparisons
Provides similar fruity-waxy notes but with slightly more pronounced wine-like character and better diffusion.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA standards
RIFM Assessment
Considered safe for current use levels based on RIFM assessments.
Sustainability
As a synthetic material, methyl decanoate avoids agricultural land use concerns associated with natural tropical fruit extracts. Production typically uses plant-derived methanol and decanoic acid from palm or coconut oil fractions, though petrochemical routes exist. The ester’s efficiency means relatively small quantities are needed to achieve desired effects.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 110-42-9Physical Properties
| Molecular Weight | 186.29 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.7🔬 PubChem |
| Boiling Point | 224 °C🔬 EPA CompTox |
| Vapor Pressure | 0.03 mmHg @ 25°C📊 OPERA |
| Flash Point | 110.5 °C🔬 EPA CompTox |
| Involatility Index | 0.0024💻 Calculated |
| log Kp (skin permeability) | -0.499💻 Calculated |
| SMILES | CCCCCCCCCC(=O)OC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.4 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | fattyfruity• leffingwell |
| Functional Groups | esterether💻 RDKit |
| “Oily-winey, slightly fruity odor when pure. Samples containing traces of Decanoic acid will have a perceptible and usually undesirable fatty undertone.”📖 Arctander | |
Flavor Notes (Arctander)
| “Winey-honey-like taste, quite powerful. It is also used sparingly in certain flavor types, e. g. Brandy, Wine, Honey, Banana, Coconut, etc.”📖 Arctander |
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: DTXSID4026842
Physical Properties
| Molecular Weight | 186.295 g/mol🔬 EPA CompTox |
| Density | 0.873 g/cm^3🔬 EPA CTX |
| Boiling Point | 223.97 °C🔬 EPA CTX |
| Melting Point | -17.545 °C🔬 EPA CTX |
| Flash Point | 95.483 °C🔬 EPA CTX |
| Refractive Index | 1.427 Dimensionless📊 OPERA |
| Molar Volume | 213.592 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.41 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.525 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.525 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.82 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0.002 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.037 mmHg🔬 EPA CTX |
| Viscosity | 1.913 cP📊 OPERA |
| Surface Tension | 28.038 dyn/cm📊 OPERA |
| Thermal Conductivity | 139.771 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 | 8 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 54.785 cm^3/mol📊 OPERA |
| Polarizability | 21.719 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.
