1H-Indende-2-methanol, 2,3-dihydro-2,5-dimethyl- (CAS 285977-85-7) — Woody Heart to Base Note Fragrance Ingredient
1H-Indende-2-methanol, 2,3-dihydro-2,5-dimethyl-
CAS 285977-85-7
What Is 1H-Indende-2-methanol, 2,3-dihydro-2,5-dimethyl-?
1H-Indende-2-methanol, 2,3-dihydro-2,5-dimethyl- is a synthetic fragrance ingredient used in modern perfumery. It contributes unique aromatic qualities to fragrances. This compound is valued for its ability to enhance depth and complexity in scent compositions, often found in niche and designer perfumes.
Safety Profile
GENERALLY SAFEWhat Does 1H-Indende-2-methanol, 2,3-dihydro-2,5-dimethyl- Smell Like?
This synthetic molecule offers a complex aromatic profile with woody and slightly floral undertones. It evolves from a fresh, slightly green top note to a warm, resinous heart, settling into a subtle balsamic base. Its dry-down is reminiscent of aged woods with a hint of spice, making it versatile in modern perfumery.
2D Molecular Structure
SMILES: CC1=CC2=C(CC(C)(CO)C2)C=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
1H-Indende-2-methanol, 2,3-dihydro-2,5-dimethyl- is a synthetic aromatic alcohol. It belongs to the indene class of compounds, known for their woody and balsamic characteristics. While its exact synthesis route is proprietary, it likely involves catalytic hydrogenation and methylation of indene precursors. Its structure suggests moderate stability and good blending potential in fragrance formulations.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds woody depth |
| Home Fragrance | 0.5-3% | Up to 5% | Enhances longevity |
Classic Accords
Tip: Use in small amounts to add woody complexity without overpowering other notes.
Alternatives & Comparisons
Offers similar depth but with more floral characteristics. Useful when a jasmine-like note is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions. Monitor for future updates as safety data evolves.
RIFM Assessment
No RIFM assessment available. Considered safe at current usage levels based on structural analogs.
Sustainability
As a synthetic molecule, this ingredient avoids natural resource depletion. Its production likely involves petrochemical precursors, with environmental impact dependent on manufacturing processes. Future green chemistry approaches may improve its sustainability profile.
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Physicochemical Properties
DTXSID: DTXSID5051367
Physical Properties
| Molecular Weight | 176.259 g/mol🔬 EPA CompTox |
| Density | 1.036 g/cm^3📊 OPERA |
| Boiling Point | 270.46 °C📊 OPERA |
| Melting Point | 66.223 °C📊 OPERA |
| Flash Point | 126.629 °C📊 OPERA |
| Refractive Index | 1.542 Dimensionless📊 OPERA |
| Molar Volume | 171.793 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.116 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.116 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.116 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 8.56 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.006 mmHg📊 OPERA |
| Viscosity | 10.383 cP📊 OPERA |
| Surface Tension | 38.981 dyn/cm📊 OPERA |
| Thermal Conductivity | 132.891 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 20.23 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 54.094 cm^3/mol📊 OPERA |
| Polarizability | 21.445 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.
