5H-Cyclopenta[h]quinazoline, 6,6a,7,8,9,9a-hexahydro-7,7,8,9,9-pentamethyl- (CAS 1392325-86-8) — Woody Base Note Fragrance Ingredient
5H-Cyclopenta[h]quinazoline, 6,6a,7,8,9,9a-hexahydro-7,7,8,9,9-pentamethyl-
CAS 1392325-86-8
What Is 5H-Cyclopenta[h]quinazoline, 6,6a,7,8,9,9a-hexahydro-7,7,8,9,9-pentamethyl-?
This synthetic fragrance ingredient is a specialized molecule used in modern perfumery to create unique olfactory effects. It’s found in niche and avant-garde fragrances where perfumers seek unconventional scent profiles. As a synthetic compound, it allows perfumers to achieve effects that can’t be replicated with natural materials alone, contributing to innovative scent compositions.
Safety Profile
USE WITH AWARENESSWhat Does 5H-Cyclopenta[h]quinazoline, 6,6a,7,8,9,9a-hexahydro-7,7,8,9,9-pentamethyl- Smell Like?
This synthetic molecule offers a complex olfactory profile that evolves significantly over time. Initially presenting with sharp, almost metallic top notes, it quickly transitions into a heart characterized by woody-amber nuances with subtle animalic undertones. The dry-down reveals a persistent base of warm, musky tones with a faintly powdery finish. Its behavior on skin is particularly interesting, as it seems to interact strongly with body chemistry, creating personalized scent experiences.
2D Molecular Structure
SMILES: CC1C(C)(C)C2CCC3=CN=CN=C3C2C1(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
5H-Cyclopenta[h]quinazoline derivatives represent a specialized class of synthetic fragrance ingredients with complex polycyclic structures. The pentamethyl substitution pattern on this particular derivative contributes to its unique olfactory properties and stability. While specific synthesis routes are proprietary, these compounds are typically prepared through multi-step organic transformations involving cyclization and methylation reactions. The rigid polycyclic framework likely contributes to the material’s persistence and diffusion characteristics in fragrance applications.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Used as a modifier in complex accords |
| Functional Fragrance | 0.01-0.1% | Up to 0.3% | Used sparingly for effect |
Classic Accords
Tip: Use in trace amounts to add depth and complexity to woody-amber bases.
Alternatives & Comparisons
A more widely used woody-amber material with better characterized safety profile and similar persistence.
Provides some similar musky-woody aspects but with more predictable performance.
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 material.
RIFM Assessment
No RIFM assessment currently available for this material.
Sustainability
As a synthetic material, this compound is produced through controlled chemical processes without direct impact on natural resources. However, the environmental footprint depends on the specific synthesis route and raw material sourcing. Being a relatively new material, full lifecycle assessments may not yet be available.
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Physicochemical Properties
DTXSID: DTXSID50889165
Physical Properties
| Molecular Weight | 244.382 g/mol🔬 EPA CompTox |
| Density | 0.001 g/cm^3🔬 EPA CTX |
| Boiling Point | 339 °C🔬 EPA CTX |
| Melting Point | 64.304 °C📊 OPERA |
| Flash Point | 168 °C🔬 EPA CTX |
| Refractive Index | 1.499 Dimensionless📊 OPERA |
| Molar Volume | 253.765 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.798 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.773 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.798 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.41 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg🔬 EPA CTX |
| Surface Tension | 34.3 dyn/cm📊 OPERA |
| Thermal Conductivity | 108.176 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 25.78 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 74.46 cm^3/mol📊 OPERA |
| Polarizability | 29.518 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.
