2-Pentylcyclopentan-1-ol (CAS 84560-00-9) — Green Middle Note Fragrance Ingredient
2-Pentylcyclopentan-1-ol
CAS 84560-00-9
What Is 2-Pentylcyclopentan-1-ol?
2-Pentylcyclopentan-1-ol is a synthetic fragrance ingredient used in modern perfumery. It’s found in various personal care products and fine fragrances. This molecule contributes to fresh, green, and slightly floral scent profiles, often used to enhance natural aromas.
Safety Profile
GENERALLY SAFEWhat Does 2-Pentylcyclopentan-1-ol Smell Like?
2-Pentylcyclopentan-1-ol offers a fresh, green character with subtle floral undertones. It evolves from an initial crispness to a more rounded, slightly woody dry-down. The scent profile resembles crushed green leaves with a hint of cyclamen flowers, making it useful for creating naturalistic green accords.
2D Molecular Structure
SMILES: CCCCCC1CCCC1O
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Pentylcyclopentan-1-ol belongs to the cyclopentanol class of compounds. As a synthetic material, it’s produced through chemical synthesis rather than extracted from natural sources. The pentyl side chain influences its volatility and olfactory characteristics. Its molecular structure contributes to both green and floral odor aspects.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Green modifier |
| Personal Care | 0.5-2% | Up to 3% | Freshness booster |
Classic Accords
Tip: Use as a green bridge between top and heart 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
No specific RIFM assessment found.
Sustainability
As a synthetic material, 2-Pentylcyclopentan-1-ol doesn’t rely on natural resources. Its production can be optimized for minimal environmental impact through green chemistry principles.
Explore 2-Pentylcyclopentan-1-ol
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Physicochemical Properties
DTXSID: DTXSID2052576
Physical Properties
| Molecular Weight | 156.269 g/mol🔬 EPA CompTox |
| Density | 0.918 g/cm^3📊 OPERA |
| Boiling Point | 219.16 °C📊 OPERA |
| Melting Point | 21.713 °C📊 OPERA |
| Flash Point | 90.135 °C📊 OPERA |
| Refractive Index | 1.466 Dimensionless📊 OPERA |
| Molar Volume | 172.795 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.228 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.228 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.228 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.57 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.031 mmHg📊 OPERA |
| Viscosity | 15.749 cP📊 OPERA |
| Surface Tension | 31.076 dyn/cm📊 OPERA |
| Thermal Conductivity | 140.687 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 | 47.874 cm^3/mol📊 OPERA |
| Polarizability | 18.979 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.
