Cyclopentanol, 1-ethyl-2-(3-methylbutyl)- (CAS 1465004-85-6) — Woody Base Note Fragrance Ingredient
Cyclopentanol, 1-ethyl-2-(3-methylbutyl)-
CAS 1465004-85-6
What Is Cyclopentanol, 1-ethyl-2-(3-methylbutyl)-?
Cyclopentanol, 1-ethyl-2-(3-methylbutyl)- is a synthetic fragrance ingredient used in modern perfumery. It contributes unique woody and musky nuances to fragrances. This molecule is found in niche and designer perfumes where innovative scent profiles are desired.
Safety Profile
GENERALLY SAFEWhat Does Cyclopentanol, 1-ethyl-2-(3-methylbutyl)- Smell Like?
Cyclopentanol, 1-ethyl-2-(3-methylbutyl)- offers a complex olfactory profile with woody, musky, and slightly green facets. The scent evolves from a fresh, slightly green top note to a warm, woody heart with subtle musky undertones. Its dry-down is smooth and persistent, adding depth and sophistication to fragrance compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
This ingredient is relatively new and not yet widely documented in commercial fragrances.
2D Molecular Structure
SMILES: CCC1(O)CCCC1CCC(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Cyclopentanol, 1-ethyl-2-(3-methylbutyl)- is a synthetic alcohol derivative with a cyclopentane backbone. It is synthesized through organic reactions involving cyclopentanol derivatives and alkylation processes. The molecule’s structure contributes to its woody and musky odor characteristics.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds woody-musky depth |
Classic Accords
Tip: Use in small quantities to enhance woody and musky accords.
Alternatives & Comparisons
A well-known synthetic alternative for woody-ambergris notes with better safety data.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
No RIFM assessment available.
Sustainability
This synthetic ingredient is produced in laboratories, reducing environmental impact compared to natural alternatives. Its synthetic origin ensures consistent quality and supply.
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Ingredient Data Sheet
CAS 1465004-85-6Physical Properties
| Molecular Weight | 184.32 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.7🔬 PubChem |
| Boiling Point | 235 °C🔬 EPA CompTox |
| Vapor Pressure | 0.5655 mmHg @ 25°C📊 OPERA |
| Flash Point | 100.9 °C🔬 EPA CompTox |
| Involatility Index | 0.0449💻 Calculated |
| log Kp (skin permeability) | -1.197💻 Calculated |
| SMILES | CCC1(CCCC1CCC(C)C)O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | muskywoody• leffingwell |
| Functional Groups | alcohol💻 RDKit |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID30889305
Physical Properties
| Molecular Weight | 184.323 g/mol🔬 EPA CompTox |
| Density | 0.874 g/cm^3🔬 EPA CTX |
| Boiling Point | 235.163 °C🔬 EPA CTX |
| Melting Point | 40.509 °C📊 OPERA |
| Flash Point | 100.91 °C🔬 EPA CTX |
| Refractive Index | 1.458 Dimensionless📊 OPERA |
| Molar Volume | 209.174 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.4 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.713 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.713 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.76 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.566 mmHg🔬 EPA CTX |
| Viscosity | 20.05 cP📊 OPERA |
| Surface Tension | 31.173 dyn/cm📊 OPERA |
| Thermal Conductivity | 129.075 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 | 57.065 cm^3/mol📊 OPERA |
| Polarizability | 22.622 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.
