Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)- (CAS 54464-59-4) — Woody Base Note Fragrance Ingredient
Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)-
CAS 54464-59-4
What Is Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)-?
This synthetic ingredient is a specialized ketone used in niche perfumery to create woody, ambery accords. You’ll encounter it in high-end fragrances where it contributes to sophisticated dry-down notes. Its importance lies in providing longevity and diffusion to woody compositions while avoiding the sometimes harsh characteristics of traditional amber materials.
Safety Profile
USE WITH AWARENESSWhat Does Ethanone, 1-(1,2,3,4,5,6,7,8-octahydro-2,3,5,5-tetramethyl-2-naphthalenyl)- Smell Like?
A complex woody-amber note with subtle animalic undertones. Begins with a slightly camphoraceous top that quickly evolves into a warm, dry woodiness reminiscent of aged cedar chests. The dry-down reveals a smooth, slightly sweet amber character that lingers close to the skin for hours. Unlike many amber materials, it lacks the heavy sweetness, instead offering a refined, almost mineralic quality.
2D Molecular Structure
SMILES: CC1CC2=C(CCCC2(C)C)CC1(C)C(C)=O
Chemistry, Properties & Perfumer Guide
The Chemistry
This bicyclic ketone belongs to the tetramethylnaphthalene family, synthesized through Diels-Alder reactions or Friedel-Crafts acylation. The octahydro structure provides stability while the ketone group contributes to its odor characteristics. Its stereochemistry significantly impacts scent profile, with different isomers showing varying degrees of woody versus amber character.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as amber/woody modifier |
| Functional Fragrance | 0.1-0.5% | Up to 1% | For long-lasting woody notes |
Classic Accords
Tip: Use with ionones to soften the woody character and enhance diffusion.
Alternatives & Comparisons
When a cleaner, more transparent woody note is desired without the amber aspects.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific restrictions under current IFRA standards.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
RIFM safety assessment pending due to limited commercial use.
Sustainability
As a synthetic material, its environmental impact depends on production methods. Being used in small quantities, its carbon footprint is relatively low compared to natural amber materials.
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Physicochemical Properties
DTXSID: DTXSID5052200
Physical Properties
| Molecular Weight | 234.383 g/mol🔬 EPA CompTox |
| Density | 0.951 g/cm^3📊 OPERA |
| Boiling Point | 295.64 °C📊 OPERA |
| Melting Point | 40.932 °C📊 OPERA |
| Flash Point | 135.62 °C📊 OPERA |
| Refractive Index | 1.493 Dimensionless📊 OPERA |
| Molar Volume | 246.33 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.849 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.849 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.849 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.43 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 | 32.419 dyn/cm📊 OPERA |
| Thermal Conductivity | 116.478 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 | 71.604 cm^3/mol📊 OPERA |
| Polarizability | 28.386 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.
