Cyclohexane, 1-(1,1-dimethylpropyl)-4-ethoxy-, cis- (CAS 181258-87-7) — Woody Middle Note Fragrance Ingredient
Cyclohexane, 1-(1,1-dimethylpropyl)-4-ethoxy-, cis-
CAS 181258-87-7
What Is Cyclohexane, 1-(1,1-dimethylpropyl)-4-ethoxy-, cis-?
This synthetic fragrance ingredient is a specialized chemical used in modern perfumery to create unique scent profiles. It’s found in niche fragrances where innovative aroma molecules are prized. While not commonly encountered in everyday products, it represents perfumery’s cutting-edge chemistry.
Safety Profile
GENERALLY SAFEWhat Does Cyclohexane, 1-(1,1-dimethylpropyl)-4-ethoxy-, cis- Smell Like?
This synthetic molecule offers a clean, modern aroma with subtle woody-amber undertones. Its odor profile evolves from a crisp opening to a smooth, slightly powdery dry-down. The scent carries faint metallic nuances reminiscent of fresh rain on hot pavement, transitioning to a skin-like muskiness that blends seamlessly with other fragrance components.
2D Molecular Structure
SMILES: CCO[C@H]1CC[C@H](CC1)C(C)(C)CC
Chemistry, Properties & Perfumer Guide
The Chemistry
This cyclohexane derivative belongs to the class of synthetic ethers with complex branching patterns. The cis-configuration of the ethoxy group contributes to its specific olfactory characteristics. Synthesis typically involves catalytic hydrogenation of precursor aromatic compounds followed by selective etherification under controlled conditions.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Modern woody-amber modifier |
| Functional Fragrance | 0.1-1% | Up to 3% | Clean scent enhancer |
Classic Accords
Tip: Use as a bridge between woody and amber notes in contemporary compositions.
Alternatives & Comparisons
Provides similar amber characteristics but with greater diffusion and longevity.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
No RIFM assessment currently available.
Sustainability
As a synthetic material, this ingredient avoids natural resource depletion concerns. Its environmental impact depends on manufacturing processes and energy inputs. Being petroleum-derived, its sustainability profile is comparable to other synthetic fragrance chemicals.
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Physicochemical Properties
DTXSID: DTXSID0051811
Physical Properties
| Molecular Weight | 198.35 g/mol🔬 EPA CompTox |
| Density | 0.845 g/cm^3📊 OPERA |
| Boiling Point | 234.43 °C📊 OPERA |
| Melting Point | -21.612 °C📊 OPERA |
| Flash Point | 82.427 °C📊 OPERA |
| Refractive Index | 1.445 Dimensionless📊 OPERA |
| Molar Volume | 232.431 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.328 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 5.328 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.328 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.74 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0.001 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.092 mmHg📊 OPERA |
| Viscosity | 4.937 cP📊 OPERA |
| Surface Tension | 27.389 dyn/cm📊 OPERA |
| Thermal Conductivity | 120.63 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 9.23 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 61.895 cm^3/mol📊 OPERA |
| Polarizability | 24.537 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.
