(1-Ethoxyethoxy)-cyclododecane (CAS 389083-83-4) — Woody Base Note Fragrance Ingredient
(1-Ethoxyethoxy)-cyclododecane
CAS 389083-83-4
What Is (1-Ethoxyethoxy)-cyclododecane?
(1-Ethoxyethoxy)-cyclododecane is a synthetic fragrance ingredient used in modern perfumery to create unique, long-lasting scents. It’s found in some niche and experimental fragrances. This compound matters because it offers perfumers a novel way to build complexity and longevity in fragrance compositions, especially in woody or musky accords where traditional ingredients may be limited.
Safety Profile
USE WITH AWARENESSWhat Does (1-Ethoxyethoxy)-cyclododecane Smell Like?
This synthetic molecule presents a sophisticated woody-amber character with subtle ether-like undertones. The initial impression is clean and slightly metallic, evolving into a warm, musky heart with a faintly sweet, almost vanillic nuance. The dry-down reveals a persistent woody base that blends exceptionally well with sandalwood and patchouli derivatives, creating a modern interpretation of classic woody accords.
2D Molecular Structure
SMILES: CCOC(C)OC1CCCCCCCCCCC1
Chemistry, Properties & Perfumer Guide
The Chemistry
(1-Ethoxyethoxy)-cyclododecane is a synthetic cyclic ether derivative with a dodecane backbone. The molecule features an ethoxyethoxy side chain that contributes to its unique odor profile and solubility characteristics. It’s typically synthesized through etherification reactions of cyclododecanol with ethylene oxide derivatives. The large ring structure provides excellent stability and longevity in fragrance applications.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Woody-amber base note |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Longevity enhancer |
Classic Accords
Tip: Use as a fixative in woody oriental compositions to enhance diffusion and longevity.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to this material.
RIFM Assessment
Safety assessment data not yet available from RIFM.
Sustainability
As a synthetic material, (1-Ethoxyethoxy)-cyclododecane offers consistent quality and avoids natural resource depletion. However, its environmental impact during synthesis should be considered. The compound’s persistence in the environment has not been fully characterized, warranting careful formulation practices.
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Ingredient Data Sheet
CAS 389083-83-4Physical Properties
| Molecular Weight | 256.42 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 5.9🔬 PubChem |
| Boiling Point | 303 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0001 mmHg @ 25°C📊 OPERA |
| Flash Point | 79.9 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -0.075💻 Calculated |
| SMILES | CCOC(C)OC1CCCCCCCCCCC1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 11.9 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | ether💻 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: DTXSID00889019
Physical Properties
| Molecular Weight | 256.43 g/mol🔬 EPA CompTox |
| Density | 0.876 g/cm^3📊 OPERA |
| Boiling Point | 300.642 °C📊 OPERA |
| Melting Point | -4.289 °C📊 OPERA |
| Flash Point | 102.737 °C📊 OPERA |
| Refractive Index | 1.452 Dimensionless📊 OPERA |
| Molar Volume | 287.242 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.902 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 5.902 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.902 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.41 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.002 mmHg📊 OPERA |
| Viscosity | 6.403 cP📊 OPERA |
| Surface Tension | 30.776 dyn/cm📊 OPERA |
| Thermal Conductivity | 141.063 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 18.46 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 77.525 cm^3/mol📊 OPERA |
| Polarizability | 30.733 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.
