Nonane (CAS 111-84-2) — Woody Top Note Fragrance Ingredient
Nonane
CAS 111-84-2
What Is Nonane?
Nonane is a synthetic hydrocarbon solvent rarely encountered directly by consumers, but sometimes used in fragrance bases and industrial applications. It’s a component of some petroleum-derived products. While not a primary fragrance ingredient, it can contribute to volatility control and act as a carrier for other aromatic compounds in certain formulations.
Safety Profile
USE WITH AWARENESSWhat Does Nonane Smell Like?
Nonane possesses a faint, generic hydrocarbon odor reminiscent of lighter fluid or paraffin wax. Its scent profile is neutral and nondescript – a clean, aliphatic petroleum character without distinctive top, heart or base notes. The odor is linear, showing little evolution over time, with a dry, slightly waxy finish that dissipates quickly due to its high volatility.
2D Molecular Structure
SMILES: CCCCCCCCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Nonane is a straight-chain alkane with nine carbon atoms (C9H20), part of the paraffin series. It’s produced through fractional distillation of petroleum and is not found in significant quantities in nature. Industrial synthesis typically involves catalytic reforming of petroleum fractions. As a simple hydrocarbon, it lacks functional groups or chiral centers, making it chemically inert for most fragrance applications.
Physical & Chemical Properties
| Boiling Point | 150.8 °C |
|---|---|
| Melting Point | -53.5 °C |
| Density | 0.718 g/cm³ |
| Flash Point | 31 °C |
| Vapor Pressure | 3.5 mmHg at 25°C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial Fragrance | 1-5% | Up to 10% | Solvent/carrier |
| Household Products | 0.5-3% | Up to 5% | Base formulation |
Classic Accords
Tip: Use primarily as a neutral diluent rather than an aromatic component.
Alternatives & Comparisons
Similar hydrocarbon with slightly higher boiling point and lower volatility, useful when more persistence is needed.
Longer chain alkane with even lower volatility, suitable for extended-release formulations.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA – classified as simple hydrocarbon solvent.
GHS Classification
RIFM Assessment
Evaluated by RIFM and considered safe for current fragrance use levels.
Sustainability
As a petroleum-derived ingredient, nonane raises environmental concerns regarding fossil fuel dependence. However, its high production efficiency and low usage levels in fragrance applications minimize its overall impact. No known renewable alternatives exist with identical functional properties.
Explore Nonane
Browse essential oils and aroma compounds.
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References
- PubChem Compound Summary for Nonane CID 8141
- IFRA Standards Library IFRA
- RIFM Fragrance Ingredient Safety Assessment RIFM
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorLayer 3 · Practical
- Odor Profile: gasoline
- Molecular Weight: 128.25 g/mol
- LogP (XLogP): 4.50
Ingredient Data Sheet
CAS 111-84-2Physical Properties
| Molecular Weight | 128.25 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.5🔬 PubChem |
| Boiling Point | 150.8 °C🔬 EPA CompTox |
| Vapor Pressure | 3.22 mmHg @ 25°C📊 OPERA |
| Flash Point | 31.1 °C🔬 EPA CompTox |
| Involatility Index | 0.3064💻 Calculated |
| log Kp (skin permeability) | -0.287💻 Calculated |
| SMILES | CCCCCCCCC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Moderate💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Sensory Thresholds
| Odor Detection Threshold | 39.56 ppm (n=7)📖 van Gemert |
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: DTXSID9025796
Physical Properties
| Molecular Weight | 128.259 g/mol🔬 EPA CompTox |
| Density | 0.715 g/cm^3🔬 EPA CTX |
| Boiling Point | 150.171 °C🔬 EPA CTX |
| Melting Point | -52.714 °C🔬 EPA CTX |
| Flash Point | 31.699 °C🔬 EPA CTX |
| Refractive Index | 1.409 Dimensionless📊 OPERA |
| Molar Volume | 177.096 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.572 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 5.424 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.424 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.16 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 4.126 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 3.974 mmHg🔬 EPA CTX |
| Viscosity | 0.742 cP📊 OPERA |
| Surface Tension | 22.976 dyn/cm📊 OPERA |
| Thermal Conductivity | 130.133 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 0 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 0 count💻 Computed |
| Rotatable Bonds | 6 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 43.745 cm^3/mol📊 OPERA |
| Polarizability | 17.342 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.
