2,3,3-Trimethylindanone (CAS 54440-17-4) — Woody Base Note Fragrance Ingredient
2,3,3-Trimethylindanone
CAS 54440-17-4
What Is 2,3,3-Trimethylindanone?
2,3,3-Trimethylindanone is a synthetic fragrance ingredient used to add woody, amber-like nuances to perfumes. It’s found in luxury fragrances and personal care products. This molecule enhances longevity and warmth in compositions, making it valuable for creating rich, complex scents.
Safety Profile
GENERALLY SAFEWhat Does 2,3,3-Trimethylindanone Smell Like?
2,3,3-Trimethylindanone offers a warm, woody-amber scent with subtle leathery undertones. It evolves from a slightly sharp opening to a smooth, velvety dry-down, reminiscent of aged parchment and antique wood. The scent profile is long-lasting, making it ideal for base notes.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the woody-amber base, adding depth and longevity.
Contributes to the warm, amber-woody accord, complementing the saffron and jasmine.
2D Molecular Structure
SMILES: CC1C(=O)C2=C(C=CC=C2)C1(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
2,3,3-Trimethylindanone is a synthetic ketone with a bicyclic structure. It is synthesized through Friedel-Crafts acylation or other aromatic substitution reactions. Its stability and low volatility make it ideal for perfumery.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds warmth and longevity |
| Personal Care | 0.5-2% | Up to 5% | Used in small amounts for stability |
Classic Accords
Tip: Use in small amounts to avoid overpowering other notes.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
No significant safety concerns reported by RIFM.
Sustainability
Synthetic production ensures consistent quality and reduces environmental impact compared to natural extraction. Sourcing is controlled and scalable.
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References
- PubChem: 2,3,3-Trimethylindanone PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 54440-17-4Physical Properties
| Molecular Weight | 174.24 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.1🔬 PubChem |
| Boiling Point | 263 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0148 mmHg @ 25°C📊 OPERA |
| Flash Point | 104.3 °C🔬 EPA CompTox |
| Involatility Index | 0.0012💻 Calculated |
| log Kp (skin permeability) | -1.562💻 Calculated |
| SMILES | CC1C(=O)C2=CC=CC=C2C1(C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.3 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicwoody• leffingwell |
| 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: DTXSID20886101
Physical Properties
| Molecular Weight | 174.243 g/mol🔬 EPA CompTox |
| Density | 1.031 g/cm^3📊 OPERA |
| Boiling Point | 264.072 °C📊 OPERA |
| Melting Point | 34.238 °C📊 OPERA |
| Flash Point | 113.194 °C📊 OPERA |
| Refractive Index | 1.518 Dimensionless📊 OPERA |
| Molar Volume | 173.428 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.097 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.097 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.097 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.8 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.012 mmHg📊 OPERA |
| Viscosity | 1.094 cP📊 OPERA |
| Surface Tension | 31.891 dyn/cm📊 OPERA |
| Thermal Conductivity | 122.959 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 | 0 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 52.587 cm^3/mol📊 OPERA |
| Polarizability | 20.847 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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