1-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanone (CAS 774-55-0) — Woody Base Note Fragrance Ingredient
1-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanone
CAS 774-55-0
What Is 1-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanone?
1-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanone is a synthetic aromatic compound used in specialty fragrances. It contributes woody, slightly animalic notes to perfumes. This ingredient is found in niche fragrances where unique molecular structures are prized for their distinctive olfactory profiles.
Safety Profile
USE WITH AWARENESSWhat Does 1-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanone Smell Like?
This molecule offers a complex interplay of woody and slightly musky tones, reminiscent of aged cedarwood with a whisper of animalic warmth. The dry-down reveals a subtle sweetness, akin to the faint memory of amber resin on sun-warmed skin. Its evolution is linear but nuanced, maintaining a persistent woody character with minimal top note volatility.
2D Molecular Structure
SMILES: CC(=O)C1=CC2=C(CCCC2)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
1-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanone belongs to the tetralone class of aromatic ketones. It is synthesized through Friedel-Crafts acylation of tetralin derivatives. The partially hydrogenated naphthalene ring system provides unique steric constraints that influence its olfactory properties. This synthetic pathway allows for precise control over molecular structure and purity.
Physical & Chemical Properties
| Molecular Weight | 174.24 g/mol |
|---|---|
| Boiling Point | Estimated 300-320 °C |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Niche Fragrances | 0.5-2% | Up to 5% | Used for woody-amberic accents |
| Functional Fragrances | 0.1-1% | Up to 3% | Provides long-lasting woody notes |
Classic Accords
Tip: Use with complementary woody materials to enhance diffusion and longevity.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions. Monitor future amendments for potential classification changes.
RIFM Assessment
No RIFM safety assessment published as of 2023.
Sustainability
As a synthetic material, production involves petrochemical feedstocks. The environmental impact is moderate due to specialized synthesis requirements. Future green chemistry approaches may improve sustainability.
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References
- PubChem Compound Summary for 1-(5,6,7,8-tetrahydro-2-naphthalenyl)ethanone PubChem CID
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 774-55-0Physical Properties
| Molecular Weight | 174.24 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3🔬 PubChem |
| Boiling Point | 299.5 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0014 mmHg @ 25°C📊 OPERA |
| Flash Point | 151 °C🔬 EPA CompTox |
| Involatility Index | 0.0001💻 Calculated |
| log Kp (skin permeability) | -1.633💻 Calculated |
| SMILES | CC(=O)C1=CC2=C(CCCC2)C=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 5.2 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | ketonearomatic💻 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: DTXSID0047163
Physical Properties
| Molecular Weight | 174.243 g/mol🔬 EPA CompTox |
| Density | 1.06 g/cm^3🔬 EPA CTX |
| Boiling Point | 299.5 °C🔬 EPA CTX |
| Melting Point | -21 °C🔬 EPA CTX |
| Flash Point | 151 °C🔬 EPA CTX |
| Refractive Index | 1.545 Dimensionless📊 OPERA |
| Molar Volume | 167.793 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.084 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.084 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.084 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.83 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg🔬 EPA CTX |
| Viscosity | 7.704 cP📊 OPERA |
| Surface Tension | 39.84 dyn/cm📊 OPERA |
| Thermal Conductivity | 132.155 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 | 1 count💻 Computed |
| Molar Refractivity | 53.067 cm^3/mol📊 OPERA |
| Polarizability | 21.037 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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