5-(2,2,3-Trimethyl-3-cyclopentenyl)-3-methylpentan-2-ol (CAS 65113-99-7) — Woody Base Note Fragrance Ingredient
5-(2,2,3-Trimethyl-3-cyclopentenyl)-3-methylpentan-2-ol
CAS 65113-99-7
What Is 5-(2,2,3-Trimethyl-3-cyclopentenyl)-3-methylpentan-2-ol?
5-(2,2,3-Trimethyl-3-cyclopentenyl)-3-methylpentan-2-ol is a synthetic fragrance ingredient used in perfumery to create woody, amber-like scents. Consumers encounter it in fine fragrances and personal care products where it adds depth and warmth. This molecule matters because it helps perfumers craft sophisticated base notes that evolve beautifully over time, contributing to the luxurious feel of high-end fragrances.
Safety Profile
GENERALLY SAFEWhat Does 5-(2,2,3-Trimethyl-3-cyclopentenyl)-3-methylpentan-2-ol Smell Like?
This molecule exudes a rich, woody-amber character with subtle hints of dry cedar and warm sandalwood. Initially, it presents a slightly sharp, almost camphoraceous top note that quickly mellows into a creamy, velvety heart. The dry-down reveals a sophisticated base reminiscent of aged leather and precious woods, with a faintly sweet undertone that lingers elegantly on the skin.
2D Molecular Structure
SMILES: CC(O)C(C)CCC1CC=C(C)C1(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
5-(2,2,3-Trimethyl-3-cyclopentenyl)-3-methylpentan-2-ol is a synthetic terpenoid alcohol with a complex cyclic structure. It belongs to the class of woody-amber odorants, synthesized through catalytic hydrogenation of corresponding ketones or via Grignard reactions. The molecule’s stereochemistry contributes to its olfactory profile, with different enantiomers potentially exhibiting varying odor intensities.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Base note modifier |
| Personal Care | 0.5-2% | Up to 3% | Adds warmth |
Classic Accords
Tip: Use in small quantities to enhance woody accords without overwhelming other notes.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
Safety assessment pending by RIFM.
Sustainability
As a synthetic ingredient, this molecule is produced through controlled chemical processes with minimal environmental impact compared to natural alternatives. Its production avoids harvesting of endangered wood species while providing consistent quality and supply chain stability.
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Physicochemical Properties
DTXSID: DTXSID5052335
Physical Properties
| Molecular Weight | 210.361 g/mol🔬 EPA CompTox |
| Density | 0.879 g/cm^3📊 OPERA |
| Boiling Point | 279.951 °C📊 OPERA |
| Melting Point | 50.21 °C📊 OPERA |
| Flash Point | 106.084 °C📊 OPERA |
| Refractive Index | 1.462 Dimensionless📊 OPERA |
| Molar Volume | 240.266 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.227 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.227 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.227 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.62 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.004 mmHg📊 OPERA |
| Viscosity | 11.375 cP📊 OPERA |
| Surface Tension | 28.431 dyn/cm📊 OPERA |
| Thermal Conductivity | 126.883 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 | 65.998 cm^3/mol📊 OPERA |
| Polarizability | 26.164 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.
