Octahydro-7,7,8,8-tetramethyl-2,3b-methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methyl acetate (CAS 59056-62-1) — Woody Base Note Fragrance Ingredient
Octahydro-7,7,8,8-tetramethyl-2,3b-methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methyl acetate
CAS 59056-62-1
What Is Octahydro-7,7,8,8-tetramethyl-2,3b-methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methyl acetate?
Octahydro-7,7,8,8-tetramethyl-2,3b-methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methyl acetate is a synthetic fragrance ingredient used in perfumery for its woody and amber-like characteristics. It is found in various fine fragrances and personal care products. This compound contributes to the depth and longevity of fragrances, enhancing their complexity and making them more appealing and long-lasting.
Safety Profile
GENERALLY SAFEWhat Does Octahydro-7,7,8,8-tetramethyl-2,3b-methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methyl acetate Smell Like?
This synthetic molecule offers a rich, woody aroma with pronounced amber undertones. It evolves on the skin with a warm, slightly sweet heart that dries down to a lingering, musky base. The scent is reminiscent of aged wood and polished leather, adding sophistication and depth to fragrance compositions. Its tenacity makes it ideal for base notes, where it provides a stable, long-lasting foundation.
2D Molecular Structure
SMILES: CC(=O)OCC1CCC(C)(C)C23CC4CC2C13C4(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Octahydro-7,7,8,8-tetramethyl-2,3b-methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methyl acetate is a complex synthetic molecule belonging to the family of polycyclic musks. It is synthesized through multi-step organic reactions involving cyclization and esterification. Its structure contributes to its stability and low volatility, making it suitable for long-lasting fragrance applications. The molecule’s rigid framework enhances its olfactory properties, providing a consistent and robust scent profile.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds depth and longevity |
| Personal Care | 0.5-3% | Up to 5% | Enhances product scent stability |
Classic Accords
Tip: Use in small amounts to avoid overpowering other notes.
Alternatives & Comparisons
A more widely used amber-like synthetic with similar woody characteristics but higher volatility.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions apply. Always follow general guidelines for synthetic ingredients.
GHS Classification
RIFM Assessment
RIFM assessment indicates safe use at typical concentrations.
Sustainability
As a synthetic molecule, this ingredient is produced in controlled laboratory settings, reducing environmental impact compared to natural extraction methods. Its production can be optimized for minimal waste and energy use, contributing to sustainable fragrance development.
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Physicochemical Properties
DTXSID: DTXSID30866732
Physical Properties
| Molecular Weight | 276.42 g/mol🔬 EPA CompTox |
| Density | 1.078 g/cm^3📊 OPERA |
| Boiling Point | 303.174 °C📊 OPERA |
| Melting Point | 120.737 °C📊 OPERA |
| Flash Point | 132.589 °C📊 OPERA |
| Refractive Index | 1.529 Dimensionless📊 OPERA |
| Molar Volume | 256.469 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.186 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 5.186 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.186 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.49 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Surface Tension | 38.2 dyn/cm📊 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 | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 79.042 cm^3/mol📊 OPERA |
| Polarizability | 31.335 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.
