Ethanone, 1-[(2R,3S)-1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl]-, rel- (CAS 59056-93-8) — Musky Base Note Fragrance Ingredient
Ethanone, 1-[(2R,3S)-1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl]-, rel-
CAS 59056-93-8
What Is Ethanone, 1-[(2R,3S)-1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl]-, rel-?
This synthetic musk ingredient is used in modern perfumes to create long-lasting, skin-like scents. It’s found in laundry detergents, fabric softeners, and personal care products where a clean, musky note is desired. As a synthetic musk, it provides an ethical alternative to animal-derived musks while offering superior stability and consistency in formulations.
Safety Profile
USE WITH AWARENESSWhat Does Ethanone, 1-[(2R,3S)-1,2,3,4,5,6,7,8-octahydro-2,3,8,8-tetramethyl-2-naphthalenyl]-, rel- Smell Like?
This synthetic musk molecule delivers a clean, powdery, and slightly animalic scent reminiscent of sun-warmed skin. It evolves from a subtle sweetness to a more pronounced musky character over time, with excellent tenacity that lingers on fabric and skin for days. The dry-down reveals a sophisticated, almost velvety texture that blends seamlessly with floral and woody accords.
2D Molecular Structure
SMILES: C[C@H]1CC2=C(C[C@@]1(C)C(C)=O)C(C)(C)CCC2
Chemistry, Properties & Perfumer Guide
The Chemistry
This compound belongs to the polycyclic musk family, synthesized through Friedel-Crafts acylation of tetramethylhydronaphthalene derivatives. Its rigid polycyclic structure contributes to exceptional stability and low volatility. The stereochemistry at positions 2 and 3 influences its odor profile, with the (2R,3S) configuration producing the most desirable musky character.
Physical & Chemical Properties
| Molecular Weight | 244.38 g/mol |
|---|---|
| LogP | 5.2 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Provides musky foundation |
| Laundry Care | 0.1-0.5% | Up to 1% | Lingering fabric scent |
Classic Accords
Tip: Use with woody notes to enhance diffusion or with white musks for a cleaner profile.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
Under review by RIFM for environmental safety assessment.
Sustainability
As a synthetic musk, this compound avoids the ethical concerns of animal-derived musks. However, its potential environmental persistence requires careful formulation and disposal considerations. Modern wastewater treatment plants can effectively remove this compound when properly maintained.
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References
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 59056-93-8Physical Properties
| Molecular Weight | 234.38 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.6🔬 PubChem |
| Boiling Point | 288 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0022 mmHg @ 25°C📊 OPERA |
| Flash Point | 127.7 °C🔬 EPA CompTox |
| Involatility Index | 0.0002💻 Calculated |
| log Kp (skin permeability) | -1.574💻 Calculated |
| SMILES | CC1CC2=C(CC1(C)C(=O)C)C(CCC2)(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 5.6 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | ketonealkene💻 RDKit |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID8069305
Physical Properties
| Molecular Weight | 234.383 g/mol🔬 EPA CompTox |
| Density | 0.951 g/cm^3📊 OPERA |
| Boiling Point | 295.976 °C📊 OPERA |
| Melting Point | 40.967 °C📊 OPERA |
| Flash Point | 136.208 °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 | 32.587 dyn/cm📊 OPERA |
| Thermal Conductivity | 116.188 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.
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