N,N-Diethyloctamide (CAS 996-97-4) — Woody Middle Note Fragrance Ingredient
N,N-Diethyloctamide
CAS 996-97-4
What Is N,N-Diethyloctamide?
N,N-Diethyloctamide is a synthetic fragrance ingredient used in modern perfumery for its unique olfactory properties. Consumers may encounter it in niche fragrances and some personal care products. This molecule matters because it offers perfumers a novel way to create fresh, clean scent profiles with excellent longevity.
Safety Profile
GENERALLY SAFEWhat Does N,N-Diethyloctamide Smell Like?
N,N-Diethyloctamide presents a crisp, clean odor profile with subtle marine undertones. The initial impression is reminiscent of freshly laundered linen with a cool, almost metallic edge. As it evolves, a faintly soapy character emerges, blending with a soft muskiness that provides excellent tenacity. The dry-down reveals a subtle woody-amber nuance that makes it particularly useful for modern aquatic and fougère compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as a fresh marine note modifier to enhance the modern aquatic character without overpowering the citrus top notes.
Contributes to the crystalline water accord, providing longevity to the fresh floral heart.
2D Molecular Structure
SMILES: CCCCCCCC(=O)N(CC)CC
Chemistry, Properties & Perfumer Guide
The Chemistry
N,N-Diethyloctamide belongs to the amide class of compounds, specifically a dialkylamide. While not found in nature, it is synthesized through the reaction of octanoyl chloride with diethylamine. The resulting molecule features both hydrophilic (amide) and hydrophobic (alkyl chain) regions, giving it unique solubility properties that influence its performance in fragrance formulations.
Physical & Chemical Properties
| Appearance | Colorless liquid |
|---|---|
| Boiling Point | Not available |
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Fresh aquatic accords |
| Personal Care | 0.5-1.5% | Up to 2% | Soap and shower gel formulations |
Classic Accords
Tip: Use in conjunction with citrus top notes to create sparkling fresh openings with enhanced longevity.
Alternatives & Comparisons
Offers similar fresh characteristics but with less marine nuance and more floral aspects.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
Limited safety assessment available through RIFM.
Sustainability
As a synthetic material, N,N-Diethyloctamide offers consistent quality without natural resource depletion. Its production can be optimized for minimal environmental impact through green chemistry principles.
Explore N,N-Diethyloctamide
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References
- Bauer et al. (2001). Modern Synthetic Fragrance Ingredients. Journal of Agricultural and Food Chemistry. DOI:10.1021/jf0108628
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 996-97-4Physical Properties
| Molecular Weight | 199.33 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.5🔬 PubChem |
| Boiling Point | 263 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0102 mmHg @ 25°C📊 OPERA |
| Flash Point | 97.1 °C🔬 EPA CompTox |
| Involatility Index | 0.0008💻 Calculated |
| log Kp (skin permeability) | -1.431💻 Calculated |
| SMILES | CCCCCCCC(=O)N(CC)CC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 4 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | muskywoody• leffingwell |
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: DTXSID5061372
Physical Properties
| Molecular Weight | 199.338 g/mol🔬 EPA CompTox |
| Density | 0.853 g/cm^3📊 OPERA |
| Boiling Point | 264.374 °C📊 OPERA |
| Melting Point | -25.864 °C📊 OPERA |
| Flash Point | 107.928 °C📊 OPERA |
| Refractive Index | 1.444 Dimensionless📊 OPERA |
| Molar Volume | 230.99 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.358 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.713 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.313 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.26 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.008 mmHg📊 OPERA |
| Viscosity | 6.119 cP📊 OPERA |
| Surface Tension | 29.939 dyn/cm📊 OPERA |
| Thermal Conductivity | 147.136 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.31 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 8 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 61.394 cm^3/mol📊 OPERA |
| Polarizability | 24.339 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.
