1(2H)-Naphthalenone, 4-ethyloctahydro-8-methyl- (CAS 870515-09-6) — Woody Base Note Fragrance Ingredient
1(2H)-Naphthalenone, 4-ethyloctahydro-8-methyl-
CAS 870515-09-6
What Is 1(2H)-Naphthalenone, 4-ethyloctahydro-8-methyl-?
This synthetic fragrance compound is a specialized ingredient used by perfumers to create unique olfactory effects. While not commonly encountered in everyday products, it may appear in niche or experimental fragrances. Its complex structure allows perfumers to craft distinctive scent profiles that can’t be achieved with natural materials alone.
Safety Profile
USE WITH AWARENESSWhat Does 1(2H)-Naphthalenone, 4-ethyloctahydro-8-methyl- Smell Like?
This synthetic naphthalenone derivative offers a complex olfactory profile with woody-ambery undertones and subtle animalic facets. Initial impressions suggest a dry, slightly smoky character that evolves into a warm, musky base. The 4-ethyl substitution contributes a rounded sweetness, while the octahydro structure provides depth and persistence. In the dry-down, it reveals nuanced leathery and tobacco-like nuances, making it particularly useful for creating sophisticated base accords.
2D Molecular Structure
SMILES: CCC1CCC(=O)C2C(C)CCCC12
Chemistry, Properties & Perfumer Guide
The Chemistry
1(2H)-Naphthalenone, 4-ethyloctahydro-8-methyl- belongs to the class of cyclic ketones with a partially hydrogenated naphthalene core. The ethyl and methyl substitutions on the saturated ring system create steric effects that influence both volatility and odor characteristics. Synthesis typically involves catalytic hydrogenation of appropriate naphthalene precursors followed by selective alkylation. The stereochemistry of the octahydro structure may produce multiple isomers with varying olfactory properties.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Base note modifier |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Used sparingly for depth |
Classic Accords
Tip: Use in trace amounts to add complexity to woody or leather bases.
Alternatives & Comparisons
More widely available woody-amber with better safety profile for mainstream applications.
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, this compound avoids natural resource depletion but requires petrochemical feedstocks. Production likely involves multi-step synthesis with associated energy inputs. The environmental impact depends on manufacturing processes and waste management practices at production facilities.
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Physicochemical Properties
DTXSID: DTXSID101033526
Physical Properties
| Molecular Weight | 194.318 g/mol🔬 EPA CompTox |
| Density | 0.938 g/cm^3📊 OPERA |
| Boiling Point | 261.433 °C📊 OPERA |
| Melting Point | -1.169 °C📊 OPERA |
| Flash Point | 107.231 °C📊 OPERA |
| Refractive Index | 1.461 Dimensionless📊 OPERA |
| Molar Volume | 212.488 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.889 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.889 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.889 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.62 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.021 mmHg📊 OPERA |
| Viscosity | 9.482 cP📊 OPERA |
| Surface Tension | 31.539 dyn/cm📊 OPERA |
| Thermal Conductivity | 117.9 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 | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 58.335 cm^3/mol📊 OPERA |
| Polarizability | 23.126 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.
