Cyclopentanol, 2-methyl-5-(1-methylethyl)-, 1-propanoate (CAS 1245725-35-2) — Woody Middle to base Note Fragrance Ingredient
Cyclopentanol, 2-_methyl-_5-_(1-_methylethyl)_-_, 1-_propanoate
CAS 1245725-35-2
What Is Cyclopentanol, 2-_methyl-_5-_(1-_methylethyl)_-_, 1-_propanoate?
Cyclopentanol, 2-methyl-5-(1-methylethyl)-, 1-propanoate is a synthetic fragrance ingredient used in modern perfumery. It’s typically found in niche and experimental fragrances. This compound matters because it represents perfumers’ ability to create novel scent molecules that expand the palette beyond traditional natural materials.
Safety Profile
USE WITH AWARENESSWhat Does Cyclopentanol, 2-_methyl-_5-_(1-_methylethyl)_-_, 1-_propanoate Smell Like?
This synthetic molecule offers a clean, modern woody-amber character with subtle fruity undertones. The initial impression is crisp and slightly metallic, evolving into a warm, musky heart with hints of dried apricot. The dry-down reveals a sophisticated woody base reminiscent of aged cedarwood with a faintly sweet, almost vanillic trail. Its odor profile bridges the gap between traditional woody materials and contemporary synthetic musks.
2D Molecular Structure
SMILES: CCC(=O)OC1C(C)CCC1C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Cyclopentanol, 2-methyl-5-(1-methylethyl)-, 1-propanoate belongs to the class of synthetic cyclic alcohols. Its structure combines cyclopentane and isopropyl groups with a propanoate ester. The synthesis typically involves esterification of the corresponding cyclopentanol derivative with propionic acid or its derivatives. The branched structure contributes to its unique odor profile and stability in formulations.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Modern woody accent |
| Functional Fragrance | 0.5-2% | Up to 3% | Long-lasting woody note |
Classic Accords
Tip: Use as a modifier to add depth to woody-amber bases without overwhelming other notes.
Alternatives & Comparisons
More transparent woody note with better diffusion, suitable when a lighter effect is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions reported.
RIFM Assessment
No RIFM assessment publicly available for this specific compound.
Sustainability
As a synthetic material, this compound doesn’t rely on natural resources but requires energy-intensive chemical synthesis. Its environmental impact depends on manufacturing processes and waste management. Being a relatively new material, its biodegradability profile hasn’t been extensively studied.
Explore Cyclopentanol, 2-_methyl-_5-_(1-_methylethyl)_-_, 1-_propanoate
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Physicochemical Properties
DTXSID: DTXSID80889279
Physical Properties
| Molecular Weight | 198.306 g/mol🔬 EPA CompTox |
| Density | 0.918 g/cm^3📊 OPERA |
| Boiling Point | 225.326 °C📊 OPERA |
| Melting Point | 4.245 °C📊 OPERA |
| Flash Point | 89.065 °C📊 OPERA |
| Refractive Index | 1.448 Dimensionless📊 OPERA |
| Molar Volume | 213.941 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.26 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.26 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.26 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.88 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.091 mmHg📊 OPERA |
| Viscosity | 4.716 cP📊 OPERA |
| Surface Tension | 28.994 dyn/cm📊 OPERA |
| Thermal Conductivity | 115.947 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.3 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 57.327 cm^3/mol📊 OPERA |
| Polarizability | 22.726 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.
