3-Decanone, 1-hydroxy (CAS 67633-95-8) — Sweet Middle Note Fragrance Ingredient
3-Decanone, 1-hydroxy
CAS 67633-95-8
What Is 3-Decanone, 1-hydroxy?
3-Decanone, 1-hydroxy is a synthetic fragrance ingredient used in perfumery to add subtle fruity and floral nuances. It’s typically found in fine fragrances and personal care products where a clean, slightly sweet character is desired. This molecule helps perfumers create sophisticated scent profiles that evolve beautifully on skin.
Safety Profile
GENERALLY SAFEWhat Does 3-Decanone, 1-hydroxy Smell Like?
1-Hydroxy-3-decanone presents a delicate balance of fruity and floral characteristics with a clean, slightly waxy undertone. The initial impression suggests ripe pears dipped in honey, transitioning to a soft floral heart reminiscent of lily petals. The dry-down reveals a subtle muskiness that blends seamlessly with base notes. Its moderate volatility allows it to serve as both a modifier and a subtle bridge between top and middle notes.
2D Molecular Structure
SMILES: CCCCCCCC(=O)CCO
Chemistry, Properties & Perfumer Guide
The Chemistry
1-Hydroxy-3-decanone belongs to the class of hydroxy ketones, characterized by both hydroxyl and carbonyl functional groups. This synthetic compound is typically produced through controlled oxidation reactions of decanol derivatives or selective reduction of corresponding diketones. The hydroxyl group at position 1 introduces polarity to the molecule while maintaining the hydrophobic character of the decane backbone.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as floral-fruity modifier |
| Personal Care | 0.1-1% | Up to 3% | Adds subtle freshness |
Classic Accords
Tip: Use to soften harsh floral notes and add natural-seeming sweetness.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
No RIFM assessment available for this specific compound.
Sustainability
As a synthetic material, 1-hydroxy-3-decanone offers consistent quality without natural resource depletion. Production typically follows green chemistry principles with efficient catalytic processes. The compound’s biodegradability profile suggests minimal environmental persistence.
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Ingredient Data Sheet
CAS 67633-95-8Physical Properties
| Molecular Weight | 172.26 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.4🔬 PubChem |
| Boiling Point | 256 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0005 mmHg @ 25°C📊 OPERA |
| Flash Point | 112.4 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.047💻 Calculated |
| SMILES | CCCCCCCC(=O)CCO🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 5.4 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | ketonealcohol💻 RDKit |
| “Sweet-herbaceous, somewhat fungoid or mushroomy odor, in dilution reminiscent of Amylvinylcarbinol and related Lavender trace materials.”📖 Arctander | |
Regulatory Status
| IFRA Listed | Yes — see IFRA Standards for category limits⚖️ IFRA 51 |
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: DTXSID8052352
Physical Properties
| Molecular Weight | 172.26 g/mol🔬 PubChem |
| Density | 0.915 g/cm^3📊 PubChem |
| Boiling Point | 256 °C📊 PubChem |
| Melting Point | 9 °C📊 PubChem |
| Flash Point | 112.4 °C📊 PubChem |
Partition & Solubility
| LogP (Octanol-Water) | 2.4 Log10 unitless🔬 PubChem |
| Water Solubility | 0.141 mol/L📊 PubChem |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 PubChem |
Molecular Descriptors
| Topological Polar Surface Area | 37.3 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 8 count💻 Computed |
| Molar Refractivity | 50.09 cm^3/mol💻 Computed |
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.
