2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol (CAS 28219-60-5) — Woody Middle to Base Note Fragrance Ingredient
2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol
CAS 28219-60-5
What Is 2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol?
2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol is a synthetic fragrance ingredient used in perfumes and scented products. It contributes woody, ambery, and slightly floral notes. This ingredient matters because it enhances fragrance longevity and adds complexity to modern perfumery, often found in luxury and niche fragrances.
Safety Profile
GENERALLY SAFEWhat Does 2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol Smell Like?
This molecule offers a rich, woody-ambery scent with a subtle floral undertone. It evolves from a fresh, slightly green top note to a warm, resinous heart, finally drying down to a soft, musky base. The aroma is reminiscent of sun-warmed cedarwood with a hint of dried petals.
2D Molecular Structure
SMILES: CC(CO)=CCC1CC=C(C)C1(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol is a synthetic terpenoid alcohol. It is typically produced through the condensation of isoprene derivatives, followed by hydrogenation. The molecule’s structure allows for excellent stability and longevity in fragrance formulations.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds woody-ambery depth |
| Home Care | 0.1-1% | Up to 3% | Enhances longevity |
Classic Accords
Tip: Use in woody or amber bases to enhance warmth and persistence.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
RIFM safety assessment pending.
Sustainability
As a synthetic ingredient, it is produced through controlled chemical processes, reducing environmental impact compared to natural extraction. The supply chain is stable and not dependent on seasonal variations.
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Physicochemical Properties
DTXSID: DTXSID40865418
Physical Properties
| Molecular Weight | 194.318 g/mol🔬 EPA CompTox |
| Density | 0.915 g/cm^3🔬 EPA CTX |
| Boiling Point | 262.44 °C📊 OPERA |
| Melting Point | 30.872 °C📊 OPERA |
| Flash Point | 99.3 °C🔬 EPA CTX |
| Refractive Index | 1.479 Dimensionless📊 OPERA |
| Molar Volume | 216.422 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.073 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.073 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.073 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.56 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.003 mmHg📊 OPERA |
| Viscosity | 3.682 cP📊 OPERA |
| Surface Tension | 28.818 dyn/cm📊 OPERA |
| Thermal Conductivity | 131.217 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 | 3 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 61.349 cm^3/mol📊 OPERA |
| Polarizability | 24.32 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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