Methyl 9-undecenoate (CAS 5760-50-9) — Sweet Top to Heart Note Fragrance Ingredient
Methyl 9-undecenoate
CAS 5760-50-9
What Is Methyl 9-undecenoate?
Methyl 9-undecenoate is a synthetic ester used in fragrances to create fruity, floral, and slightly fatty nuances. It mimics natural aromas found in some fruits and flowers. This ingredient is valued for its ability to add a subtle, diffusive sweetness to perfumes, enhancing their complexity and longevity.
Safety Profile
GENERALLY SAFEWhat Does Methyl 9-undecenoate Smell Like?
Methyl 9-undecenoate offers a delicate, fruity-floral aroma with a hint of fatty undertones. It evolves from a bright, slightly green top note to a softer, more floral heart, settling into a subtle, sweet base. The dry-down is smooth and lingering, adding a touch of sophistication to fragrances.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance fruity and floral notes, adding a subtle sweetness and complexity to the fragrance.
2D Molecular Structure
SMILES: COC(=O)CCCCCCCC=CC
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl 9-undecenoate is a synthetic ester derived from undecenoic acid. It is commonly used in perfumery for its fruity-floral aroma. The compound is synthesized through esterification reactions, making it a versatile ingredient in fragrance formulations.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds fruity-floral nuances |
Classic Accords
Tip: Use to enhance fruity and floral notes in fragrances.
Alternatives & Comparisons
Offers a similar fruity-floral profile with slightly more green nuances.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
No significant safety concerns identified by RIFM.
Sustainability
Synthetic production ensures consistent quality and reduces reliance on natural resources. Environmental impact is minimal due to controlled manufacturing processes.
Explore Methyl 9-undecenoate
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References
- PubChem: Methyl 9-undecenoate PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 5760-50-9Physical Properties
| Molecular Weight | 198.3 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.9🔬 PubChem |
| Boiling Point | 242 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0195 mmHg @ 25°C📊 OPERA |
| Flash Point | 84.3 °C🔬 EPA CompTox |
| Involatility Index | 0.0015💻 Calculated |
| log Kp (skin permeability) | -1.141💻 Calculated |
| SMILES | CC=CCCCCCCCC(=O)OC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.6 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | fattygreen• leffingwell |
| Functional Groups | esteretheralkene💻 RDKit |
| “Light, fatty-green, mildly earthy-fungal odor with some resemblance to Brandy and Cognac.”📖 Arctander | |
| Methyl 9-undecenoate has a sweet, persistent, light, fatty, green odor reminiscent of wine and iron. It has an oily, brandy-like flavor at low concentrations and unpleasant at high levels.📖 Fenaroli | |
Flavor Notes (Arctander)
| “Oily-brandy-like taste in concentrations below 50 ppm. Rather unpleasant "rubber-like" at higher concentrations. It is more frequently used, but normally in mere traces, in flavor compositions, such as Honey, Citrus, Rum, etc. It performs very well with Ethyl aceto acetate, Ethyl phenylacetate, Citr”📖 Arctander |
Regulatory Status
| FEMA Number | FEMA 2750⚖️ 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: DTXSID5063998
Physical Properties
| Molecular Weight | 198.306 g/mol🔬 EPA CompTox |
| Density | 0.884 g/cm^3📊 OPERA |
| Boiling Point | 245.045 °C📊 OPERA |
| Melting Point | -30.797 °C📊 OPERA |
| Flash Point | 91.995 °C📊 OPERA |
| Refractive Index | 1.444 Dimensionless📊 OPERA |
| Molar Volume | 223.713 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.302 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.302 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.302 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.95 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.02 mmHg📊 OPERA |
| Viscosity | 2.173 cP📊 OPERA |
| Surface Tension | 28.294 dyn/cm📊 OPERA |
| Thermal Conductivity | 140.926 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 | 59.476 cm^3/mol📊 OPERA |
| Polarizability | 23.578 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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