Methyl undec-10-enoate (CAS 111-81-9) — Sweet Middle Note Fragrance Ingredient
Methyl undec-10-enoate
CAS 111-81-9
What Is Methyl undec-10-enoate?
Methyl undec-10-enate is a synthetic fragrance ingredient used to add fresh, fruity, and slightly green nuances to perfumes and scented products. You’ll encounter it in body lotions, shampoos, and fine fragrances. This ester brings a crisp, dewy quality that mimics the freshness of just-cut greenery with a subtle fruity undertone, making scents feel more vibrant and alive.
Safety Profile
GENERALLY SAFEWhat Does Methyl undec-10-enoate Smell Like?
Methyl undec-10-enate opens with a bright, slightly green burst reminiscent of freshly snapped stems or unripe bananas. As it evolves, a transparent fruity character emerges—like underripe melon or Asian pear skin—hovering above a clean, waxy base. The dry-down reveals subtle coconut-like lactonic facets, leaving a delicate trail that enhances floral compositions without overpowering them. Its linearity makes it excellent for functional fragrances where longevity is key.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
2D Molecular Structure
SMILES: COC(=O)CCCCCCCCC=C
Chemistry, Properties & Perfumer Guide
The Chemistry
Methyl undec-10-enate is a straight-chain unsaturated ester synthesized via esterification of undec-10-enoic acid with methanol. As a C11 compound with terminal unsaturation, it exhibits moderate volatility and polarity. The double bond at the 10-position contributes to its fresh, green character while the ester group provides fruity tonalities. Industrial production typically employs acid-catalyzed Fischer esterification or enzymatic methods for higher purity.
Physical & Chemical Properties
| Boiling Point | ~250 °C (estimated) |
|---|---|
| Density | ~0.88 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds fruity-green freshness |
| Functional Fragrance | 0.5-2% | Up to 3% | Enhances clean impressions |
Classic Accords
Tip: Use with ionones to create radiant fruity-floral effects without sweetness.
Alternatives & Comparisons
More intense green-violet character for bold formulations where methyl undec-10-enate’s subtlety isn’t enough.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA
RIFM Assessment
No significant safety concerns identified in RIFM assessments.
Sustainability
As a synthetic material, methyl undec-10-enate avoids agricultural land use. Modern production methods minimize solvent waste and energy consumption compared to traditional ester synthesis routes.
Explore Methyl undec-10-enoate
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
Physicochemical Properties
DTXSID: DTXSID5046566
Physical Properties
| Molecular Weight | 198.306 g/mol🔬 EPA CompTox |
| Density | 0.887 g/cm^3🔬 EPA CTX |
| Boiling Point | 250.26 °C🔬 EPA CTX |
| Melting Point | -17.708 °C🔬 EPA CTX |
| Flash Point | 105.033 °C🔬 EPA CTX |
| Refractive Index | 1.438 Dimensionless📊 OPERA |
| Molar Volume | 225.192 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.45 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 4.311 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.311 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.81 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 1.763 mmHg🔬 EPA CTX |
| Viscosity | 2.206 cP📊 OPERA |
| Surface Tension | 28.88 dyn/cm📊 OPERA |
| Thermal Conductivity | 142.416 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 | 9 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 59.143 cm^3/mol📊 OPERA |
| Polarizability | 23.446 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.
