2H-2,4a-Methanonaphthalen-1(5H)-one, hexahydro-5,5-dimethyl-2-propyl- (CAS 1392277-05-2) — Woody Base Note Fragrance Ingredient
2H-_2,_4a-_Methanonaphthalen-_1(5H)_-_one, hexahydro-_5,_5-_dimethyl-_2-_propyl-
CAS 1392277-05-2
What Is 2H-_2,_4a-_Methanonaphthalen-_1(5H)_-_one, hexahydro-_5,_5-_dimethyl-_2-_propyl-?
This synthetic fragrance ingredient is a specialized molecule used in modern perfumery to create unique olfactory effects. While not commonly encountered in everyday products, it may appear in niche or avant-garde fragrances. Its complex structure allows perfumers to craft novel scent profiles that push creative boundaries.
Safety Profile
USE WITH AWARENESSWhat Does 2H-_2,_4a-_Methanonaphthalen-_1(5H)_-_one, hexahydro-_5,_5-_dimethyl-_2-_propyl- Smell Like?
This synthetic molecule presents a complex olfactory profile with woody-ambery undertones and subtle floral nuances. The initial impression suggests a clean, slightly camphoraceous character that evolves into a warmer, more resinous dry-down. Its odor strength is moderate with excellent persistence, making it valuable for creating sophisticated base notes in modern compositions.
2D Molecular Structure
SMILES: CCCC12CCC3(C1)C(CCCC3(C)C)C2=O
Chemistry, Properties & Perfumer Guide
The Chemistry
This bicyclic ketone belongs to the methanonaphthalenone class of synthetic fragrance materials. Its rigid molecular framework contributes to its distinctive odor profile. While not found in nature, it shares structural similarities with some terpenoid compounds. Synthesis typically involves multi-step organic reactions including cyclization and alkylation processes to build the complex ring system.
Physical & Chemical Properties
| Molecular Weight | Not available |
|---|---|
| Boiling Point | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as a modifier in complex accords |
Classic Accords
Tip: Use sparingly in woody-amber bases to add depth without overwhelming other notes.
Alternatives & Comparisons
More widely available amber alternative with similar persistence but different odor profile.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
No RIFM assessment currently available for this material.
Sustainability
As a synthetic material, its production avoids natural resource depletion but requires energy-intensive chemical processes. The environmental impact depends on manufacturing practices and waste management at production facilities.
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Physicochemical Properties
DTXSID: DTXSID90889164
Physical Properties
| Molecular Weight | 234.383 g/mol🔬 EPA CompTox |
| Density | 0.995 g/cm^3📊 OPERA |
| Boiling Point | 305.144 °C📊 OPERA |
| Melting Point | 91.854 °C📊 OPERA |
| Flash Point | 137.051 °C📊 OPERA |
| Refractive Index | 1.509 Dimensionless📊 OPERA |
| Molar Volume | 234.911 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.512 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.512 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.512 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.38 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 OPERA |
| Surface Tension | 35.75 dyn/cm📊 OPERA |
| Thermal Conductivity | 118.26 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 | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 70.119 cm^3/mol📊 OPERA |
| Polarizability | 27.797 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.
