Ocimenol (CAS 5986-38-9) — Green Top to Middle Note Fragrance Ingredient
Ocimenol
CAS 5986-38-9
What Is Ocimenol?
Ocimenol is a synthetic fragrance ingredient used in modern perfumery to add fresh, green, and slightly floral nuances. You’ll encounter it in body washes, air fresheners, and some contemporary floral perfumes. It’s valued for its ability to bridge citrus top notes with herbal heart notes, creating a seamless transition in fragrance compositions.
Safety Profile
USE WITH AWARENESSWhat Does Ocimenol Smell Like?
Ocimenol opens with a crisp, dewy greenness reminiscent of freshly crushed tomato leaves or the first snap of a green pepper. As it evolves, a delicate floralcy emerges – like the ghost of lily-of-the-valley wrapped in tender aquatic notes. The dry-down reveals a subtle woody undertone, leaving behind a clean, almost transparent trail. Its behavior is linear yet sophisticated, maintaining a consistent green-floral character without overwhelming other notes.
2D Molecular Structure
SMILES: CC(C=C)=CCCC(C)(C)O
Chemistry, Properties & Perfumer Guide
The Chemistry
Ocimenol is a synthetic monoterpenoid alcohol derived from myrcene. Its structure features a conjugated triene system, making it highly reactive in perfumery applications. The commercial material typically exists as a mixture of isomers, with the (E)-isomer being the most olfactively significant. Industrial synthesis usually involves selective hydrogenation of ocimene followed by epoxidation and rearrangement.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Green-floral modifier |
| Functional Fragrance | 0.1-1% | Up to 3% | Freshness booster |
Classic Accords
Tip: Use ocimenol to add dimensionality to synthetic lily accords without introducing heaviness.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. No specific usage limits established.
RIFM Assessment
No comprehensive RIFM assessment available as of current data.
Sustainability
As a synthetic material, ocimenol production avoids agricultural impacts but depends on petrochemical feedstocks. Its synthesis typically requires significant energy input. Being highly efficient at low concentrations helps mitigate environmental load compared to less potent ingredients.
Explore Ocimenol
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Layer 3 · Practical
- Molecular Weight: 154.25 g/mol
- LogP (XLogP): 2.90
Ingredient Data Sheet
CAS 5986-38-9Physical Properties
| Molecular Weight | 154.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.9🔬 PubChem |
| Boiling Point | 206.5 °C🔬 EPA CompTox |
| Vapor Pressure | 0.1162 mmHg @ 25°C📊 OPERA |
| Flash Point | 79.9 °C🔬 EPA CompTox |
| Involatility Index | 0.0101💻 Calculated |
| log Kp (skin permeability) | -1.582💻 Calculated |
| SMILES | CC(=CCCC(C)(C)O)C=C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 1.6 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | alcoholalkene💻 RDKit |
| “Diffusive and refreshing camphoraceous-Lime-like odor with an undertone of floral sweetness and - in spite of its low boiling point - a moderate to good tenacity.”📖 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: DTXSID4052265
Physical Properties
| Molecular Weight | 154.253 g/mol🔬 EPA CompTox |
| Density | 0.844 g/cm^3📊 OPERA |
| Boiling Point | 206.457 °C📊 OPERA |
| Melting Point | 14.586 °C📊 OPERA |
| Flash Point | 79.911 °C📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.67 dimensionless💻 Computed |
| Water Solubility | 0.006 mol/L📊 OPERA |
Transport Properties
| Vapor Pressure | 0.116 mmHg📊 OPERA |
| Viscosity | 3.954 cP📊 OPERA |
| Surface Tension | 26.692 dyn/cm📊 OPERA |
| Thermal Conductivity | 137.128 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 49.49 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.
