Heptadecane (CAS 629-78-7) — Woody Base Note Fragrance Ingredient
Heptadecane
CAS 629-78-7
What Is Heptadecane?
Heptadecane is a synthetic hydrocarbon used primarily in industrial applications and some niche perfumery. It’s rarely encountered by consumers directly but may appear in trace amounts in certain wax-based products. While not a major fragrance ingredient, heptadecane serves as a subtle fixative and can contribute to the waxy, clean undertones in some compositions.
Safety Profile
GENERALLY SAFEWhat Does Heptadecane Smell Like?
Heptadecane presents a nearly odorless to faintly waxy, clean hydrocarbon character. In dilution, it may reveal subtle paraffin-like notes reminiscent of freshly unwrapped candles or a new plastic shower curtain. The molecule lacks significant top notes, instead providing a neutral backbone that can help anchor other materials without interfering with their olfactory profiles. Its dry-down is exceptionally clean and disappears almost completely, making it useful as an invisible fixative.
2D Molecular Structure
SMILES: CCCCCCCCCCCCCCCCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Heptadecane is a straight-chain alkane with 17 carbon atoms (C17H36), belonging to the paraffin series. It’s produced through petroleum refining or Fischer-Tropsch synthesis. As a saturated hydrocarbon, it’s chemically inert and non-reactive. The molecule lacks functional groups, contributing to its odor neutrality. Industrial production typically involves fractional distillation of petroleum fractions in the C17 range, followed by purification steps to remove unsaturated contaminants.
Physical & Chemical Properties
| Boiling Point | 302 °C |
|---|---|
| Melting Point | 22 °C |
| Density | 0.778 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Industrial Fragrance | 0.1-2% | Up to 5% | Fixative for wax compositions |
| Functional Products | 0.5-3% | Up to 8% | Neutral carrier for cleaning agents |
Classic Accords
Tip: Use as an invisible fixative in wax-heavy compositions where odor interference must be minimized.
Alternatives & Comparisons
Similar hydrocarbon with slightly higher volatility, useful when a lighter carrier is needed.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions apply to heptadecane.
RIFM Assessment
Not currently assessed by RIFM due to minimal fragrance use.
Sustainability
As a petroleum-derived material, heptadecane’s environmental impact relates to fossil fuel extraction. Some bio-based production routes exist via biomass conversion, though these are not yet commercially significant. The molecule’s chemical stability means it persists in the environment but presents low ecotoxicity.
Explore Heptadecane
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References
- PubChem Compound Summary for Heptadecane PubChem CID: 12396
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID7047061
Physical Properties
| Molecular Weight | 240.475 g/mol🔬 EPA CompTox |
| Density | 0.778 g/cm^3🔬 EPA CTX |
| Boiling Point | 298.946 °C🔬 EPA CTX |
| Melting Point | 22.049 °C🔬 EPA CTX |
| Flash Point | 148.033 °C🔬 EPA CTX |
| Refractive Index | 1.436 Dimensionless📊 OPERA |
| Molar Volume | 309.15 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 8.79 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 8.874 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 8.874 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.41 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg🔬 EPA CTX |
| Viscosity | 3.077 cP📊 OPERA |
| Surface Tension | 26.877 dyn/cm📊 OPERA |
| Thermal Conductivity | 141.037 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 | 14 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 80.808 cm^3/mol📊 OPERA |
| Polarizability | 32.035 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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