Cyclohexanone,5-methyl-2-(1-methylethyl)-,oxime (CAS 19096-86-7) — Green Middle Note Fragrance Ingredient
Cyclohexanone,5-methyl-2-(1-methylethyl)-,oxime
CAS 19096-86-7
What Is Cyclohexanone,5-methyl-2-(1-methylethyl)-,oxime?
Cyclohexanone,5-methyl-2-(1-methylethyl)-,oxime is a synthetic fragrance ingredient used in perfumery to create fresh, green, and woody accords. It’s typically found in fine fragrances and personal care products. This molecule contributes to modern scent profiles with its unique chemical structure, offering perfumers a versatile tool for crafting contemporary compositions.
Safety Profile
GENERALLY SAFEWhat Does Cyclohexanone,5-methyl-2-(1-methylethyl)-,oxime Smell Like?
This oxime derivative presents a crisp, green character with woody undertones. The initial impression is reminiscent of freshly cut stems and leaves, evolving into a cleaner, more abstract woody note as it dries down. There’s a subtle camphoraceous edge that adds complexity, making it useful for modern fougère and chypre accords. The dry-down reveals a faintly musky, skin-like quality that enhances longevity.
2D Molecular Structure
SMILES: CC(C)C1CCC(C)CC1=NO
Chemistry, Properties & Perfumer Guide
The Chemistry
Cyclohexanone,5-methyl-2-(1-methylethyl)-,oxime belongs to the oxime class of compounds, characterized by a C=N-OH functional group. This particular derivative is synthesized through the condensation of the corresponding ketone with hydroxylamine. The isopropyl and methyl substituents on the cyclohexane ring create steric effects that influence both its odor profile and chemical reactivity. Oximes are known for their stability and are increasingly used in modern perfumery for their unique scent profiles.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Green-woody modifier |
| Personal Care | 0.5-1.5% | Up to 2% | Freshness booster |
Classic Accords
Tip: Use in conjunction with ionones to enhance woody-floral transitions.
Alternatives & Comparisons
A more pronounced woody character with better stability in alkaline formulations.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions apply to this material under current guidelines.
RIFM Assessment
Not currently evaluated by RIFM. Recommended usage levels based on structural analogs.
Sustainability
As a synthetic material, this oxime derivative has minimal environmental impact during production. Its efficient synthesis and potency mean lower quantities are needed in formulations compared to natural alternatives. The manufacturing process can be optimized for energy efficiency and waste reduction.
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Ingredient Data Sheet
CAS 19096-86-7Physical Properties
| Molecular Weight | 169.26 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3🔬 PubChem |
| Boiling Point | 233 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0015 mmHg @ 25°C📊 OPERA |
| Flash Point | 115.9 °C🔬 EPA CompTox |
| Involatility Index | 0.0001💻 Calculated |
| log Kp (skin permeability) | -1.602💻 Calculated |
| SMILES | CC1CCC(C(=NO)C1)C(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | greenwoody• leffingwell |
| “Powerful green vegetable type odor with considerable resemblance to the odor of raw stringbeans (or "Haricots-verts"). The warm-herbaceous undertone is often accompanied by traces of a protein-like terminal note, possibly impurity-odor. Moderate tenacity.”📖 Arctander | |
Flavor Notes (Arctander)
| “Since the use of several related materials is approved for food flavors, there is reason to assume that a restricted use of Pyridine derivatives could be recognized as well, at least in perfumes.”📖 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: DTXSID50885081
Physical Properties
| Molecular Weight | 169.268 g/mol🔬 EPA CompTox |
| Density | 1.024 g/cm^3📊 OPERA |
| Boiling Point | 240.504 °C📊 OPERA |
| Melting Point | 77.691 °C📊 OPERA |
| Flash Point | 131.616 °C📊 OPERA |
| Refractive Index | 1.513 Dimensionless📊 OPERA |
| Molar Volume | 164.326 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.006 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.006 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.991 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.47 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.003 mmHg📊 OPERA |
| Surface Tension | 30.781 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 49.43 cm^3/mol📊 OPERA |
| Polarizability | 19.596 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.
