4-Hydroxy-3,6,10-trimethylundec-9-en-2-one (CAS 68141-16-2) — Green Top to middle Note Fragrance Ingredient
4-Hydroxy-3,6,10-trimethylundec-9-en-2-one
CAS 68141-16-2
What Is 4-Hydroxy-3,6,10-trimethylundec-9-en-2-one?
4-Hydroxy-3,6,10-trimethylundec-9-en-2-one is a synthetic fragrance ingredient used to create fresh, green, and slightly woody accords. It’s found in modern perfumes and functional fragrances like laundry detergents. This molecule matters because it bridges natural and synthetic olfactory worlds, offering perfumers a versatile building block for contemporary compositions.
Safety Profile
GENERALLY SAFEWhat Does 4-Hydroxy-3,6,10-trimethylundec-9-en-2-one Smell Like?
This molecule opens with a crisp, green freshness reminiscent of crushed leaves, evolving into a subtle woody heart with a faintly sweet undertone. The dry-down reveals a clean, slightly musky character that lingers close to the skin. Imagine the first snap of a green twig blending into sun-warmed cedar.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a fresh top note modifier to enhance green accords without overpowering floral heart notes.
Provides a crisp, modern edge to woody bases, creating a contrast with sweeter elements.
2D Molecular Structure
SMILES: CC(CCC=C(C)C)CC(O)C(C)C(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
4-Hydroxy-3,6,10-trimethylundec-9-en-2-one is a synthetic ketone with a complex branched structure. Its synthesis typically involves aldol condensation reactions followed by selective hydrogenation. The molecule’s stereochemistry significantly impacts its olfactory profile, with different isomers exhibiting varying degrees of green and woody character.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Solubility | Soluble in alcohol and oils |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Used as a fresh modifier |
| Functional Fragrances | 0.5-2% | Up to 3% | Adds clean green character |
Classic Accords
Tip: Use with citrus top notes to enhance freshness or with woody materials to add dimension.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
Under review by RIFM for comprehensive safety assessment.
Sustainability
As a synthetic material, its production is controlled with minimal environmental impact. No natural resources are depleted in its manufacture.
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References
- Synthetic Fragrance Compendium (2021). Modern Green Molecules. Perfumer Publishing.
- PubChem Compound Summary CID N/A
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 68141-16-2Physical Properties
| Molecular Weight | 226.35 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.5🔬 PubChem |
| Boiling Point | 278 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0126 mmHg @ 25°C📊 OPERA |
| Flash Point | 147.2 °C🔬 EPA CompTox |
| Involatility Index | 0.0009💻 Calculated |
| log Kp (skin permeability) | -1.596💻 Calculated |
| SMILES | CC(CCC=C(C)C)CC(C(C)C(=O)C)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.9 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | greenwoody• leffingwell |
| Functional Groups | ketonealcoholalkene💻 RDKit |
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: DTXSID60867499
Physical Properties
| Molecular Weight | 226.36 g/mol🔬 EPA CompTox |
| Density | 0.894 g/cm^3📊 OPERA |
| Boiling Point | 304.145 °C📊 OPERA |
| Melting Point | 23.935 °C📊 OPERA |
| Flash Point | 126.511 °C📊 OPERA |
| Refractive Index | 1.461 Dimensionless📊 OPERA |
| Molar Volume | 248.802 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.897 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.897 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.897 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.2 Log10 unitless📊 OPERA |
| Water Solubility | 0.017 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.004 mmHg📊 OPERA |
| Viscosity | 15.238 cP📊 OPERA |
| Surface Tension | 29.454 dyn/cm📊 OPERA |
| Thermal Conductivity | 139.09 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 37.3 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 7 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 68.25 cm^3/mol📊 OPERA |
| Polarizability | 27.056 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.
