4-Acetyl-6-t-butyl-1,1-dimethylindan (CAS 13171-00-1) — Woody Base Note Fragrance Ingredient
4-Acetyl-6-t-butyl-1,1-dimethylindan
CAS 13171-00-1
What Is 4-Acetyl-6-t-butyl-1,1-dimethylindan?
4-Acetyl-6-t-butyl-1,1-dimethylindan is a synthetic fragrance ingredient used in fine perfumery. It’s found in luxury perfumes and personal care products, often adding a sophisticated woody-musk character. This molecule is prized for its ability to enhance longevity and add depth to fragrances without overpowering other notes. Its subtle yet persistent nature makes it valuable for creating modern, long-lasting scent profiles.
Safety Profile
GENERALLY SAFEWhat Does 4-Acetyl-6-t-butyl-1,1-dimethylindan Smell Like?
4-Acetyl-6-t-butyl-1,1-dimethylindan unfolds with an initial crisp, slightly camphoraceous edge that quickly softens into a warm, woody-amber heart. The dry-down reveals a subtle musky undertone reminiscent of sun-warmed cedarwood, with just a whisper of sweet vanillic nuance. Unlike heavier woody materials, it maintains an airy quality that supports floral and citrus notes without dominating them. Its tenacity is remarkable – a single drop can persist for days on a smelling strip, evolving gradually from structural to sensual.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used as the backbone of this contemporary woody fragrance, providing exceptional longevity while allowing the bergamot top notes to shine through.
Acts as an amber enhancer, rounding out the rough edges of labdanum and adding diffusion to this intense oriental composition.
2D Molecular Structure
SMILES: CC(=O)C1=CC(=CC2=C1CCC2(C)C)C(C)(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
4-Acetyl-6-t-butyl-1,1-dimethylindan belongs to the indane class of synthetic musks, characterized by its acetyl group at position 4 and tertiary butyl group at position 6. The molecule’s rigidity from the indane core contributes to its persistence, while the acetyl group provides subtle sweetness. Synthesized through Friedel-Crafts acylation of pre-existing indane structures, its production requires careful control to avoid unwanted polyacylated byproducts. The t-butyl group’s steric hindrance makes this compound particularly resistant to oxidation, explaining its exceptional stability in formulations.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow crystals |
|---|---|
| Melting Point | ~85-90°C (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as fixative and diffuser |
| Body Care | 0.1-0.5% | Up to 1% | Adds subtle sophistication |
Classic Accords
Tip: Use at 0.2-0.5% in citrus colognes to dramatically improve longevity without altering the fresh character.
Alternatives & Comparisons
When more pronounced musk character is desired, though less stable in alkaline formulations.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. No specific usage limits established.
RIFM Assessment
Under review by RIFM. Preliminary data suggests low skin sensitization potential.
Sustainability
As a synthetic material, 4-Acetyl-6-t-butyl-1,1-dimethylindan avoids natural resource depletion concerns. Its production requires standard petrochemical feedstocks, with typical industrial safety protocols. The molecule’s potency means very small quantities are needed, reducing overall environmental load compared to less efficient materials.
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References
- Bauer et al. (2001). Synthetic Musks in Perfumery. Chemistry & Biodiversity.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 13171-00-1Physical Properties
| Molecular Weight | 244.37 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 5🔬 PubChem |
| Boiling Point | 304.5 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0004 mmHg @ 25°C📊 OPERA |
| log Kp (skin permeability) | -0.641💻 Calculated |
| SMILES | CC(=O)C1=C2CCC(C2=CC(=C1)C(C)(C)C)(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 8.6 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicwoody• leffingwell |
| Functional Groups | ketonearomatic💻 RDKit |
| A crystalline compound with a mild, sweet, musky odor.📖 Fenaroli | |
Sensory Thresholds
| Odor Detection Threshold | 10.8435 ppm (n=3)📖 van Gemert |
Regulatory Status
| IOFI Classification | Artificial📖 Fenaroli |
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: DTXSID9044536
Physical Properties
| Molecular Weight | 244.378 g/mol🔬 EPA CompTox |
| Density | 1.06 g/cm^3🔬 EPA CTX |
| Boiling Point | 304.5 °C🔬 EPA CTX |
| Melting Point | 78.183 °C🔬 EPA CTX |
| Flash Point | 128.025 °C📊 OPERA |
| Refractive Index | 1.509 Dimensionless📊 OPERA |
| Molar Volume | 255.157 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 5.7 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 5.342 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 5.342 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.34 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0.018 atm-m3/mole🔬 EPA CTX |
Transport Properties
| Vapor Pressure | 0.001 mmHg🔬 EPA CTX |
| Surface Tension | 32.614 dyn/cm📊 OPERA |
| Thermal Conductivity | 110.1 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 | 76.164 cm^3/mol📊 OPERA |
| Polarizability | 30.194 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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