6-Acetyl-1,1,2,4,4,7-hexamethyltetraline (CAS 21145-77-7) — Woody Base Note Fragrance Ingredient
6-Acetyl-1,1,2,4,4,7-hexamethyltetraline
CAS 21145-77-7
What Is 6-Acetyl-1,1,2,4,4,7-hexamethyltetraline?
6-Acetyl-1,1,2,4,4,7-hexamethyltetraline is a synthetic fragrance ingredient used in perfumes and scented products. It contributes to woody, amber-like accords with subtle musk undertones. This molecule matters because it adds warmth and longevity to fragrances, often serving as a base note that helps blend other scent components smoothly.
Safety Profile
GENERALLY SAFEWhat Does 6-Acetyl-1,1,2,4,4,7-hexamethyltetraline Smell Like?
6-Acetyl-1,1,2,4,4,7-hexamethyltetraline unfolds with an initial woody-dry character reminiscent of aged cedar chests, evolving into a complex amber heart with hints of sun-warmed leather. The dry-down reveals subtle musky facets that linger close to the skin, creating an intimate sillage. Its scent profile bridges the gap between synthetic amber materials and natural woody absolutes, offering perfumers a stable, long-lasting alternative to more volatile natural materials.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as an amber-woody backbone that amplifies the resinous qualities while adding diffusion and tenacity to the composition.
Provides subtle woody-musky undertones that support the tobacco leaf accord without overpowering the vanilla heart.
2D Molecular Structure
SMILES: CC1CC(C)(C)C2=C(C=C(C)C(=C2)C(C)=O)C1(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
6-Acetyl-1,1,2,4,4,7-hexamethyltetraline belongs to the tetralin class of synthetic aroma chemicals, characterized by their fused benzene and cyclohexane rings. The acetyl group at position 6 contributes significantly to its olfactory properties. While not found in nature, its structure shares similarities with certain degraded terpenoid compounds found in ambergris and aged woods.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Threshold | 0.01 ppm in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Amber-woody base note |
| Functional Fragrance | 0.5-1% | Up to 2% | Long-lasting woody fixative |
Classic Accords
Tip: Use with ionones to create sophisticated woody-floral bases.
Alternatives & Comparisons
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 specific RIFM assessment found for this material.
Sustainability
As a synthetic material, 6-Acetyl-1,1,2,4,4,7-hexamethyltetraline offers consistent quality without natural resource depletion. Its production avoids the environmental impact associated with harvesting natural amber or woody materials.
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References
- Bauer, K. et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 21145-77-7Physical Properties
| Molecular Weight | 258.4 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 5.3🔬 PubChem |
| Boiling Point | 326 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0005 mmHg @ 25°C📊 OPERA |
| log Kp (skin permeability) | -0.513💻 Calculated |
| SMILES | CC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 8.7 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicwoody• leffingwell |
| Functional Groups | ketonearomatic💻 RDKit |
Regulatory Status
| EU Annex III | Listed (restricted)⚖️ IFRA 51 |
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: DTXSID7041544
Physical Properties
| Molecular Weight | 258.405 g/mol🔬 EPA CompTox |
| Density | 0.711 g/cm^3🔬 EPA CTX |
| Boiling Point | 326 °C🔬 EPA CTX |
| Melting Point | 54.62 °C🔬 EPA CTX |
| Flash Point | 145.939 °C📊 OPERA |
| Refractive Index | 1.49 Dimensionless📊 OPERA |
| Molar Volume | 280.888 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.64 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 5.726 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.726 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.93 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.001 mmHg🔬 EPA CTX |
| Surface Tension | 30.812 dyn/cm📊 OPERA |
| Thermal Conductivity | 109.248 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 | 81.243 cm^3/mol📊 OPERA |
| Polarizability | 32.207 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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