2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-1-ol (CAS 104864-90-6) — Woody Base Note Fragrance Ingredient
2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-1-ol
CAS 104864-90-6
What Is 2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-1-ol?
2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-1-ol is a synthetic fragrance ingredient used in modern perfumery to add woody, amber-like nuances. It’s found in prestige fragrances as a versatile base note. This molecule helps create warm, long-lasting scent profiles by blending seamlessly with other woody and amber materials, making it valuable for perfumers crafting sophisticated compositions.
Safety Profile
USE WITH AWARENESSWhat Does 2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-4-penten-1-ol Smell Like?
This synthetic amberwood molecule unfolds with an initial crisp woody-herbaceous character reminiscent of freshly split cedar planks. As it develops, reveals a warm ambery heart with subtle leathery undertones and a faint metallic edge. The dry-down lingers with a sophisticated sandalwood-like smoothness, blending seamlessly with musks and vanillic notes to create depth and persistence in fragrance bases.
2D Molecular Structure
SMILES: CC(CO)CC(=C)C1CC=C(C)C1(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
A synthetic terpenoid alcohol with a complex bicyclic structure, this molecule belongs to the amberwood chemical family. Industrially produced through Diels-Alder reactions of terpene precursors followed by selective hydrogenation. The stereochemistry of the cyclopentene ring significantly impacts odor characteristics, with the 1R,3R isomer being most prized for its smooth woody profile. Modern synthesis routes focus on maximizing yield of this preferred stereoisomer.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow viscous liquid |
|---|---|
| Boiling Point | ~280 °C (estimated) |
| Density | ~0.95 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Base note modifier |
| Functional Fragrance | 0.5-1% | Up to 2% | Fabric conditioner bases |
Classic Accords
Tip: Use with ionones to soften the metallic edge and enhance woody-amber diffusion.
Alternatives & Comparisons
More diffusive amber alternative with less woody character, better for fresh applications.
Sharper woody profile with higher impact, useful when more projection is needed.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted under IFRA standards.
RIFM Assessment
Under evaluation by RIFM, preliminary data suggests low sensitization potential at standard usage levels.
Sustainability
As a purely synthetic material, production avoids natural resource depletion. Modern manufacturing processes aim to minimize solvent waste and energy consumption. The complex synthesis route does require multiple steps with moderate atom economy, making this a higher-footprint ingredient compared to simpler woody aroma chemicals.
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Physicochemical Properties
DTXSID: DTXSID0051310
Physical Properties
| Molecular Weight | 208.345 g/mol🔬 EPA CompTox |
| Density | 0.896 g/cm^3📊 OPERA |
| Boiling Point | 277.761 °C📊 OPERA |
| Melting Point | 40.144 °C📊 OPERA |
| Flash Point | 111.249 °C📊 OPERA |
| Refractive Index | 1.478 Dimensionless📊 OPERA |
| Molar Volume | 231.342 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.1 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.1 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.1 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.67 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.002 mmHg📊 OPERA |
| Viscosity | 3.397 cP📊 OPERA |
| Surface Tension | 29.637 dyn/cm📊 OPERA |
| Thermal Conductivity | 129.369 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 | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 65.457 cm^3/mol📊 OPERA |
| Polarizability | 25.949 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.
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