3-Hexanone, 2-methyl-, oxime (CAS 86460-54-0) — Green Top Note Fragrance Ingredient
3-Hexanone, 2-methyl-, oxime
CAS 86460-54-0
What Is 3-Hexanone, 2-methyl-, oxime?
3-Hexanone, 2-methyl-, oxime is a synthetic fragrance ingredient primarily encountered in modern perfumery as a fresh, green note. It adds crispness to fragrances without being overpowering. This molecule matters because it provides perfumers with a versatile tool for creating naturalistic green accords in a controlled, reproducible way that doesn’t rely on plant extracts.
Safety Profile
GENERALLY SAFEWhat Does 3-Hexanone, 2-methyl-, oxime Smell Like?
This oxime delivers a sharp, penetrating green character reminiscent of freshly crushed leaves with a subtle fruity undertone. The top note is intensely verdant, like snapping a young twig, which gradually softens into a more rounded herbal quality. In the dry-down, it leaves a faint metallic sheen that works well to amplify other green materials. The overall effect is clean and slightly aqueous, with none of the heavy vegetal aspects found in some natural green materials.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used in reformulations to recreate the original’s legendary green burst without relying on natural galbanum, providing a more stable green core.
Contributes to the watery-green mango leaf illusion in the opening, enhancing the photorealistic quality of the composition.
2D Molecular Structure
SMILES: CCCC(=NO)C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
3-Hexanone, 2-methyl-, oxime belongs to the oxime class of compounds, characterized by a C=N-OH functional group. While not found in nature, its structure mimics certain plant-derived green volatiles. Industrial synthesis typically involves reacting the corresponding ketone with hydroxylamine under acidic conditions. The resulting oxime configuration provides greater stability than aldehydes while maintaining similar olfactory properties.
Physical & Chemical Properties
| Appearance | Clear liquid |
|---|---|
| Odor Threshold | Very low (ppb range) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Used as green modifier |
| Functional Fragrance | 0.01-0.1% | Up to 0.3% | For fresh laundry notes |
Classic Accords
Tip: Use to brighten heavy floral bases by adding 0.2% to the top note structure.
Alternatives & Comparisons
Provides a more intense, longer-lasting green effect but requires careful dosing to avoid overwhelming compositions.
Natural alternative with similar green character but higher volatility and less stability in formulations.
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 full RIFM assessment available; considered safe at current usage levels based on structural analogs.
Sustainability
As a synthetic material, this oxime reduces pressure on natural resources while offering consistent quality. Production requires standard petrochemical feedstocks with moderate energy inputs. Being highly potent, it has a favorable environmental footprint per unit of odor impact compared to some natural extracts.
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References
- Arctander, S. (1969). Perfume and Flavor Chemicals. Montclair, NJ.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID50888673
Physical Properties
| Molecular Weight | 129.203 g/mol🔬 EPA CompTox |
| Density | 0.91 g/cm^3📊 OPERA |
| Boiling Point | 194.288 °C📊 OPERA |
| Melting Point | 51.623 °C📊 OPERA |
| Flash Point | 97.563 °C📊 OPERA |
| Refractive Index | 1.442 Dimensionless📊 OPERA |
| Molar Volume | 144.337 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.658 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.658 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.598 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.72 Log10 unitless📊 OPERA |
| Water Solubility | 0.057 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.146 mmHg📊 OPERA |
| Surface Tension | 27.181 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 32.59 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 38.153 cm^3/mol📊 OPERA |
| Polarizability | 15.125 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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