2-(3,7-Dimethyl-2,6-octadienyl)cyclopentanone (CAS 68133-79-9) — Woody Heart Note Fragrance Ingredient
2-(3,7-Dimethyl-2,6-octadienyl)cyclopentanone
CAS 68133-79-9
What Is 2-(3,7-Dimethyl-2,6-octadienyl)cyclopentanone?
2-(3,7-Dimethyl-2,6-octadienyl)cyclopentanone is a synthetic fragrance compound used in perfumery for its unique olfactory properties. It is found in various fine fragrances and personal care products. This ingredient is valued for its ability to add depth and complexity to fragrance compositions, often used as a modifier to enhance other notes.
Safety Profile
USE WITH AWARENESSWhat Does 2-(3,7-Dimethyl-2,6-octadienyl)cyclopentanone Smell Like?
This synthetic molecule offers a complex olfactory profile, blending woody and floral nuances with a subtle green undertone. It evolves from a fresh, slightly citrusy top note to a heart of warm, woody character, settling into a soft, musky base. The dry-down is smooth and persistent, making it a versatile ingredient in modern perfumery.
2D Molecular Structure
SMILES: CC(C)=CCCC(C)=CCC1CCCC1=O
Chemistry, Properties & Perfumer Guide
The Chemistry
2-(3,7-Dimethyl-2,6-octadienyl)cyclopentanone is a synthetic ketone derivative, structurally related to terpenoid compounds. It is synthesized through organic reactions involving cyclopentanone and dimethyloctadienyl precursors. The molecule features a cyclopentanone core with a dimethyloctadienyl side chain, contributing to its unique olfactory properties.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Used as a modifier in floral and woody accords |
Classic Accords
Tip: Use in small amounts to enhance woody and floral notes without overpowering the composition.
Alternatives & Comparisons
A more widely used woody amber alternative with similar blending properties.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions currently apply to this compound.
RIFM Assessment
No specific RIFM assessment data available for this compound.
Sustainability
As a synthetic compound, 2-(3,7-Dimethyl-2,6-octadienyl)cyclopentanone is produced in controlled laboratory environments, minimizing environmental impact compared to some natural extracts. Its synthetic origin ensures consistent quality and reduces reliance on natural resources.
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Physicochemical Properties
DTXSID: DTXSID30867486
Physical Properties
| Molecular Weight | 220.356 g/mol🔬 EPA CompTox |
| Density | 0.914 g/cm^3🔬 EPA CTX |
| Boiling Point | 298.5 °C🔬 EPA CTX |
| Melting Point | 23.237 °C📊 OPERA |
| Flash Point | 138.894 °C🔬 EPA CTX |
| Refractive Index | 1.486 Dimensionless📊 OPERA |
| Molar Volume | 241.671 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.394 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.394 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.394 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.44 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 5.899 mmHg🔬 EPA CTX |
| Viscosity | 5.535 cP📊 OPERA |
| Surface Tension | 30.476 dyn/cm📊 OPERA |
| Thermal Conductivity | 132.629 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 17.07 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 5 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 69.38 cm^3/mol📊 OPERA |
| Polarizability | 27.504 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.
