2-Nonen-1-ol (CAS 22104-79-6) — Green Top Note Fragrance Ingredient
2-Nonen-1-ol
CAS 22104-79-6
What Is 2-Nonen-1-ol?
2-Nonen-1-ol is a synthetic fragrance ingredient known for its unique, slightly metallic green odor. It’s often used in perfumes and personal care products to add a fresh, cucumber-like nuance. This molecule is valued for its ability to create modern, clean fragrances that evoke freshness and naturalness.
Safety Profile
GENERALLY SAFEWhat Does 2-Nonen-1-ol Smell Like?
2-Nonen-1-ol offers a crisp, green aroma with a metallic edge, reminiscent of freshly cut cucumber. Its top note is sharp and slightly waxy, evolving into a cleaner, more transparent heart. The dry-down is subtle, leaving a faint trace of green freshness. This ingredient is often used to modernize floral or aquatic compositions.
2D Molecular Structure
SMILES: CCCCCCC=CCO
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Nonen-1-ol is a straight-chain unsaturated alcohol with nine carbon atoms. It is synthesized through the oxidation of nonene or via Grignard reactions. The molecule’s structure gives it a unique balance between hydrophobicity and reactivity, making it useful in fragrance formulations.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Adds fresh green nuance |
| Personal Care | 0.05-0.2% | Up to 0.5% | Enhances clean freshness |
Classic Accords
Tip: Use sparingly to avoid overpowering other notes.
Alternatives & Comparisons
Offers a more intense green leaf aroma, suitable for naturalistic compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions.
RIFM Assessment
RIFM assessment pending.
Sustainability
Synthetic production ensures consistent quality and reduces environmental impact compared to natural extraction. The process is optimized for minimal waste.
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Ingredient Data Sheet
CAS 22104-79-6Physical Properties
| Molecular Weight | 142.24 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3🔬 PubChem |
| Boiling Point | 202 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0182 mmHg @ 25°C📊 OPERA |
| Flash Point | 87.3 °C🔬 EPA CompTox |
| Involatility Index | 0.0016💻 Calculated |
| log Kp (skin permeability) | -1.438💻 Calculated |
| SMILES | CCCCCCC=CCO🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | alcoholalkene💻 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: DTXSID9066758
Physical Properties
| Molecular Weight | 142.242 g/mol🔬 EPA CompTox |
| Density | 0.856 g/cm^3📊 OPERA |
| Boiling Point | 212.557 °C📊 OPERA |
| Melting Point | -10.858 °C📊 OPERA |
| Flash Point | 93.605 °C📊 OPERA |
| Refractive Index | 1.452 Dimensionless📊 OPERA |
| Molar Volume | 168.217 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.928 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.928 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.928 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.6 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.032 mmHg📊 OPERA |
| Viscosity | 4.8 cP📊 OPERA |
| Surface Tension | 28.398 dyn/cm📊 OPERA |
| Thermal Conductivity | 154.616 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 | 6 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 45.337 cm^3/mol📊 OPERA |
| Polarizability | 17.973 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.
