6,10-Dimethylundeca-5,9-dien-2-one (CAS 689-67-8) — Citrus Top to Middle Note Fragrance Ingredient
6,10-Dimethylundeca-5,9-dien-2-one
CAS 689-67-8
What Is 6,10-Dimethylundeca-5,9-dien-2-one?
6,10-Dimethylundeca-5,9-dien-2-one is a synthetic fragrance ingredient used in perfumes and personal care products. It contributes to floral and fruity scent profiles. This molecule is valued for its ability to enhance freshness and naturalness in fragrances, often found in body washes and air fresheners.
Safety Profile
GENERALLY SAFEWhat Does 6,10-Dimethylundeca-5,9-dien-2-one Smell Like?
This molecule offers a fresh, floral-fruity character with a slight green undertone. It evolves from a bright, citrusy top note to a softer, rosy heart, settling into a clean, woody base. The scent is reminiscent of a summer garden with a hint of ripe fruit.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance floral freshness with a fruity twist, creating a vibrant and uplifting scent profile.
Adds a clean, aquatic floral note that blends seamlessly with marine accords.
2D Molecular Structure
SMILES: CC(C)=CCCC(C)=CCCC(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
6,10-Dimethylundeca-5,9-dien-2-one is a ketone with a linear carbon chain. It is synthesized through organic reactions involving aldehydes and ketones. The molecule’s structure allows for versatile use in fragrance formulations, contributing to both floral and fruity notes.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 2-5% | Up to 10% | Adds floral freshness |
| Personal Care | 1-3% | Up to 5% | Enhances clean scents |
Classic Accords
Tip: Use in floral and fruity compositions to add a fresh, natural touch.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
RIFM assessment confirms safety at current usage levels.
Sustainability
Synthesized from petrochemical sources, with ongoing research into bio-based production methods. Environmental impact is moderate due to synthetic origin.
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References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 689-67-8Physical Properties
| Molecular Weight | 194.31 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.7🔬 PubChem |
| Boiling Point | 242 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0537 mmHg @ 25°C📊 OPERA |
| Flash Point | 107.2 °C🔬 EPA CompTox |
| Involatility Index | 0.0042💻 Calculated |
| log Kp (skin permeability) | -1.258💻 Calculated |
| SMILES | CC(=CCCC(=CCCC(=O)C)C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.6 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | aldehydicfloralfreshfruitygreenleafyrose• leffingwell |
| Functional Groups | ketonealkene💻 RDKit |
| “Fresh-floral, light, but rather penetrating, sweet-rosy, slightly green, Magnolia-like odor of moderate tenacity. The odor has some resemblance to that of Rhodinyl formate, yet somewhat sharper. This ketone, which was developed as an intermediate in the synthesis of Nerolidol, has been suggested for use in perfume compositions, particularly in soap perfumes, where its superior stability makes it”📖 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: DTXSID1021586
Physical Properties
| Molecular Weight | 194.318 g/mol🔬 EPA CompTox |
| Density | 0.867 g/cm^3🔬 EPA CTX |
| Boiling Point | 243.5 °C🔬 EPA CTX |
| Melting Point | 11.914 °C📊 OPERA |
| Flash Point | 99.913 °C📊 OPERA |
| Refractive Index | 1.459 Dimensionless📊 OPERA |
| Molar Volume | 227.075 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.098 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.098 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.098 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.66 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.029 mmHg📊 OPERA |
| Viscosity | 2.072 cP📊 OPERA |
| Surface Tension | 27.232 dyn/cm📊 OPERA |
| Thermal Conductivity | 135.085 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 17.07 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 6 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 62.107 cm^3/mol📊 OPERA |
| Polarizability | 24.621 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.
