.Eta.-1H-Indol-1-yl-.alpha.,.alpha.,.epsilon.-trimethyl-1H-indole-1-heptanol (CAS 67801-36-9) — Musky Base Note Fragrance Ingredient
.Eta.-1H-Indol-1-yl-.alpha.,.alpha.,.epsilon.-trimethyl-1H-indole-1-heptanol
CAS 67801-36-9
What Is .Eta.-1H-Indol-1-yl-.alpha.,.alpha.,.epsilon.-trimethyl-1H-indole-1-heptanol?
This synthetic fragrance ingredient is used in niche perfumery to create complex, animalic accords. It’s found in high-end fragrances seeking depth and longevity. The molecule contributes a unique indolic character that perfumers use to add sensual, leathery facets to compositions.
Safety Profile
USE WITH AWARENESSWhat Does .Eta.-1H-Indol-1-yl-.alpha.,.alpha.,.epsilon.-trimethyl-1H-indole-1-heptanol Smell Like?
This indole derivative presents an intense, animalic leather scent with waxy undertones. The opening is powerfully fecal-indolic, reminiscent of jasmine absolute at its most carnal. As it dries down, the scent evolves into a warm, musky leather akin to well-worn saddles. The dry-out reveals subtle powdery facets that linger close to skin for hours.
2D Molecular Structure
SMILES: CC(CCCC(C)(C)O)CC(N1C=CC2=CC=CC=C12)N1C=CC2=CC=CC=C12
Chemistry, Properties & Perfumer Guide
The Chemistry
This synthetic indole derivative belongs to the heterocyclic aromatic compounds class. While not found in nature, it shares structural similarities with natural indoles present in jasmine and animal secretions. The molecule’s complex structure allows for multiple binding modes with olfactory receptors, explaining its potent odor profile. Synthesis typically involves multi-step reactions with indole precursors under controlled conditions.
Physical & Chemical Properties
| Molecular Weight | Not publicly available |
|---|---|
| XLogP | Not publicly available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Niche Perfumery | 0.1-0.5% | Up to 1% | Extreme potency requires careful dosing |
| Leather Accords | 0.05-0.2% | Trace amounts | Provides animalic depth |
| Modern Chypres | 0.01-0.1% | Minimal | Used for indolic complexity |
Classic Accords
Tip: Use in extreme dilution and always pre-dilute to 1% or lower before incorporating into bases.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently IFRA restricted, but professional caution advised due to limited safety data.
RIFM Assessment
No RIFM assessment publicly available for this specific compound.
Sustainability
As a synthetic material, production involves petrochemical feedstocks. The complex synthesis results in higher carbon footprint compared to simpler aroma chemicals. Proper waste handling is essential due to potential environmental persistence.
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References
- PubChem (2023). Compound Summary CID Not Available. PubChem
- Brenna, E. et al. (2012). Indole Derivatives in Perfumery. Chemistry & Biodiversity. DOI:10.1002/cbdv.201100293
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID10867343
Physical Properties
| Density | 1.125 g/cm^3📊 OPERA |
| Boiling Point | 476.079 °C📊 OPERA |
| Melting Point | 145.299 °C📊 OPERA |
| Flash Point | 289.409 °C📊 OPERA |
| Refractive Index | 1.59 Dimensionless📊 OPERA |
| Molar Volume | 358.476 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 6.548 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 6.543 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 6.548 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 10.26 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Surface Tension | 40.67 dyn/cm📊 OPERA |
| Thermal Conductivity | 135.299 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 30.09 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 8 count💻 Computed |
| Aromatic Rings | 4 count💻 Computed |
| Molar Refractivity | 120.919 cm^3/mol📊 OPERA |
| Polarizability | 47.936 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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