2-Cyclohexen-1-ol, 2,6-dimethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)- (CAS 1401065-88-0) — Woody Middle Note Fragrance Ingredient
2-_Cyclohexen-_1-_ol, 2,_6-_dimethyl-_4-_(2,_2,_3-_trimethyl-_3-_cyclopenten-_1-_yl)_-
CAS 1401065-88-0
What Is 2-_Cyclohexen-_1-_ol, 2,_6-_dimethyl-_4-_(2,_2,_3-_trimethyl-_3-_cyclopenten-_1-_yl)_-?
This synthetic fragrance ingredient is a specialized compound used in modern perfumery to create unique woody-amber accords. It’s found in niche and avant-garde fragrances seeking unconventional scent profiles. While not widely recognized by name, it contributes to the complexity of contemporary perfumes where traditional materials meet innovative chemistry.
Safety Profile
USE WITH AWARENESSWhat Does 2-_Cyclohexen-_1-_ol, 2,_6-_dimethyl-_4-_(2,_2,_3-_trimethyl-_3-_cyclopenten-_1-_yl)_- Smell Like?
This molecule offers a sophisticated woody character with subtle amber undertones. The scent evolves from an initial crisp, almost metallic sharpness to reveal a warm, resinous heart reminiscent of aged cedarwood meeting labdanum. The dry-down presents a smooth, slightly musky finish that lingers close to the skin. Its complexity bridges the gap between traditional woody materials and modern synthetic ambers.
2D Molecular Structure
SMILES: CC1CC(C=C(C)C1O)C1CC=C(C)C1(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
This synthetic terpenoid derivative belongs to the cyclohexanol class, structurally featuring multiple cyclic systems that contribute to its complex odor profile. The molecule’s stereochemistry plays a crucial role in its olfactory characteristics, with different isomers potentially exhibiting varying scent profiles. Synthesis typically involves multi-step routes starting from simpler terpene precursors, with careful control of reaction conditions to achieve the desired stereochemical configuration.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as woody-amber modifier |
| Functional Fragrance | 0.1-0.5% | Up to 1% | For sophisticated woody notes |
Classic Accords
Tip: Use sparingly in woody oriental compositions to add depth without overwhelming other notes.
Alternatives & Comparisons
Similar woody-amber character but with more pronounced cedar aspects and better substantivity.
Provides comparable amber facets but lacks the woody complexity of this material.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions currently apply to this material.
RIFM Assessment
Limited safety assessment data available from RIFM.
Sustainability
As a synthetic material, this compound avoids natural resource depletion concerns. However, its multi-step synthesis may involve energy-intensive processes. The environmental impact depends on specific production methods and waste management practices employed by manufacturers.
Explore 2-_Cyclohexen-_1-_ol, 2,_6-_dimethyl-_4-_(2,_2,_3-_trimethyl-_3-_cyclopenten-_1-_yl)_-
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Physicochemical Properties
DTXSID: DTXSID10889166
Physical Properties
| Molecular Weight | 234.383 g/mol🔬 EPA CompTox |
| Density | 0.961 g/cm^3📊 OPERA |
| Boiling Point | 300.927 °C📊 OPERA |
| Melting Point | 75.309 °C📊 OPERA |
| Flash Point | 137.835 °C📊 OPERA |
| Refractive Index | 1.503 Dimensionless📊 OPERA |
| Molar Volume | 246.768 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.268 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.268 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.268 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.61 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 | 5.259 cP📊 OPERA |
| Surface Tension | 30.946 dyn/cm📊 OPERA |
| Thermal Conductivity | 122.281 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 73.008 cm^3/mol📊 OPERA |
| Polarizability | 28.943 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.
