1H-Indene, 2,3,3a,4,5,7a-hexahydro-1,1,2,3,3-pentamethyl-6-(2-propenyl)- (CAS 351343-77-6) — Musky Base Note Fragrance Ingredient
1H-Indene, 2,3,3a,4,5,7a-hexahydro-1,1,2,3,3-pentamethyl-6-(2-propenyl)-
CAS 351343-77-6
What Is 1H-Indene, 2,3,3a,4,5,7a-hexahydro-1,1,2,3,3-pentamethyl-6-(2-propenyl)-?
This synthetic musk compound is used as a base note in modern perfumery to enhance longevity and add warmth. Found in laundry detergents and personal care products, it provides a clean, musky foundation. Its importance lies in replacing traditional animal-derived musks while maintaining similar olfactory properties.
Safety Profile
USE WITH AWARENESSWhat Does 1H-Indene, 2,3,3a,4,5,7a-hexahydro-1,1,2,3,3-pentamethyl-6-(2-propenyl)- Smell Like?
A warm, clean musk with subtle animalic undertones. It evolves from a slightly sharp opening to a smooth, powdery dry-down reminiscent of sun-warmed skin. The scent profile combines aspects of white cotton with a sophisticated skin-like quality, making it exceptionally versatile in modern fragrance compositions.
2D Molecular Structure
SMILES: CC1C(C)(C)C2CCC(CC=C)=CC2C1(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
Polycyclic musk compound belonging to the indane class. Synthesized through alkylation reactions of indane derivatives. The molecular structure features multiple methyl groups contributing to its volatility profile and musk characteristics. Unlike nitro musks, this compound shows greater stability in various pH conditions.
Physical & Chemical Properties
| Molecular Weight | N/A |
|---|---|
| XLogP | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Laundry Products | 0.1-0.5% | Up to 1% | Provides clean musk background |
| Fine Fragrance | 0.5-2% | Up to 3% | Base note fixative |
Classic Accords
Tip: Use with white musks to create contemporary laundry-type fragrances.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current restrictions under IFRA standards.
RIFM Assessment
Currently under RIFM review for environmental impact assessment.
Sustainability
As a synthetic compound, production doesn’t rely on natural resources but requires careful evaluation of biodegradability. The manufacturing process involves petrochemical feedstocks, prompting ongoing research into greener synthesis methods.
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Physicochemical Properties
DTXSID: DTXSID4051376
Physical Properties
| Molecular Weight | 232.411 g/mol🔬 EPA CompTox |
| Density | 0.837 g/cm^3📊 OPERA |
| Boiling Point | 275.28 °C📊 OPERA |
| Melting Point | 62.133 °C📊 OPERA |
| Flash Point | 118.754 °C📊 OPERA |
| Refractive Index | 1.46 Dimensionless📊 OPERA |
| Molar Volume | 277.967 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 6.541 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 6.541 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 6.541 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.26 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0.002 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.003 mmHg📊 OPERA |
| Surface Tension | 25.646 dyn/cm📊 OPERA |
| Thermal Conductivity | 110.65 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 0 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 0 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 76.193 cm^3/mol📊 OPERA |
| Polarizability | 30.205 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.
