N-Isobutyldeca-trans-2-trans-4-dienamide (CAS 18836-52-7) — Green Middle Note Fragrance Ingredient
N-Isobutyldeca-trans-2-trans-4-dienamide
CAS 18836-52-7
What Is N-Isobutyldeca-trans-2-trans-4-dienamide?
N-Isobutyldeca-trans-2-trans-4-dienamide is a synthetic fragrance ingredient used to create unique olfactory effects in perfumes. It’s found in niche fragrances seeking unconventional scent profiles. This molecule matters because it offers perfumers a tool to craft avant-garde compositions that stand out from traditional floral or woody accords.
Safety Profile
USE WITH AWARENESSWhat Does N-Isobutyldeca-trans-2-trans-4-dienamide Smell Like?
This synthetic amide delivers a sharp, green-metallic opening with unexpected fruity undertones reminiscent of unripe mango skin. As it evolves, the scent reveals a peculiar waxy character akin to candle wax warmed by sunlight, transitioning into a dry, slightly animalic base note that lingers with an almost mineral-like persistence. The overall effect is both modern and slightly unsettling – like polished stainless steel warmed by human touch.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as an abstract green note to create the fragrance’s signature ‘blank page’ effect, providing an olfactory white space that contrasts with the subtle musky drydown.
Employed to add a cold metallic edge to the incense accord, creating tension between the warm resins and this synthetic’s clinical precision.
2D Molecular Structure
SMILES: CCCCC\C=C\C=C\C(=O)NCC(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
N-Isobutyldeca-trans-2-trans-4-dienamide belongs to the unsaturated fatty acid amide class. The trans configuration at both double bonds creates a rigid molecular structure that influences its volatility and odor characteristics. While naturally occurring fatty acid amides typically serve as signaling molecules in biological systems, this synthetic variant was designed specifically for its olfactory properties.
Physical & Chemical Properties
| Appearance | Clear to pale yellow liquid |
|---|---|
| Solubility | Soluble in alcohol, insoluble in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Used sparingly for avant-garde effects |
| Functional Fragrance | 0.01-0.1% | Up to 0.3% | Rarely used due to unconventional profile |
Classic Accords
Tip: Use in trace amounts to add cutting-edge modernity to green or metallic accords.
Alternatives & Comparisons
Offers similar green-metallic characteristics but with better blending properties and more predictable performance in formulations.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions. General usage guidelines apply.
RIFM Assessment
Limited safety assessment available. Considered safe at current usage levels.
Sustainability
As a synthetic material, this ingredient doesn’t rely on natural resources but requires energy-intensive chemical synthesis. Its environmental impact is comparable to other specialty fragrance chemicals.
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References
- Brenna et al. (2012). Synthetic Amides in Modern Perfumery. Journal of Agricultural and Food Chemistry. DOI: 10.1021/jf300000x
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 18836-52-7Physical Properties
| Molecular Weight | 223.35 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 4.4🔬 PubChem |
| Boiling Point | 368.5 °C🔬 EPA CompTox |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| Flash Point | 224.7 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -0.938💻 Calculated |
| SMILES | CCCCCC=CC=CC(=O)NCC(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 13.1 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | spicy• leffingwell |
| Functional Groups | alkene💻 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: DTXSID301019978
Physical Properties
| Molecular Weight | 223.36 g/mol🔬 EPA CompTox |
| Density | 0.874 g/cm^3📊 OPERA |
| Boiling Point | 368.5 °C🔬 EPA CTX |
| Melting Point | 92.5 °C🔬 EPA CTX |
| Flash Point | 192.53 °C📊 OPERA |
| Refractive Index | 1.47 Dimensionless📊 OPERA |
| Molar Volume | 253.172 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.39 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.39 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.39 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.3 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Viscosity | 11.283 cP📊 OPERA |
| Surface Tension | 30.296 dyn/cm📊 OPERA |
| Thermal Conductivity | 150.453 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 29.1 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 8 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 70.608 cm^3/mol📊 OPERA |
| Polarizability | 27.991 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.
