4,7-Methano-1H-indene-5-carboxaldehyde, octahydro-6-methyl- (CAS 1338815-87-4) — Woody Base Note Fragrance Ingredient
4,_7-_Methano-_1H-_indene-_5-_carboxaldehyde, octahydro-_6-_methyl-
CAS 1338815-87-4
What Is 4,_7-_Methano-_1H-_indene-_5-_carboxaldehyde, octahydro-_6-_methyl-?
4,7-Methano-1H-indene-5-carboxaldehyde, octahydro-6-methyl- is a synthetic fragrance ingredient used in modern perfumery. It contributes woody, amber-like notes with a clean musky undertone. Consumers encounter it in fine fragrances and personal care products where a long-lasting base note is desired. This molecule matters because it provides stability in formulations while delivering a subtle yet distinctive olfactory signature.
Safety Profile
USE WITH AWARENESSWhat Does 4,_7-_Methano-_1H-_indene-_5-_carboxaldehyde, octahydro-_6-_methyl- Smell Like?
This synthetic aldehyde opens with a crisp, woody character reminiscent of freshly cut cedar planks. As it evolves, the scent reveals a warm ambery core with faint animalic undertones. The dry-down is remarkably persistent, leaving a clean musky trail that blends seamlessly with other base notes. Like sunlight filtering through ancient forest canopies, it balances sharpness with depth.
2D Molecular Structure
SMILES: CC1C2CC(C3CCCC23)C1C=O
Chemistry, Properties & Perfumer Guide
The Chemistry
This bicyclic aldehyde belongs to the indane chemical family, synthesized through Diels-Alder reactions. Its constrained molecular geometry creates unique vibrational modes that translate to distinctive olfactory properties. The octahydro modification enhances stability while the methyl group influences volatility. Modern synthesis routes often employ catalytic hydrogenation of precursor indenes.
Physical & Chemical Properties
| Boiling Point | Not available |
|---|---|
| Density | Not available |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Provides woody-amber backbone |
| Personal Care | 0.5-1% | Up to 2% | Used for longevity |
Classic Accords
Tip: Use with citrus top notes to prevent excessive heaviness.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No current IFRA restrictions (2023).
EU Allergen Declaration
Not listed as EU allergen.
GHS Classification
RIFM Assessment
Under evaluation by RIFM (2023).
Sustainability
As a synthetic material, production involves petrochemical feedstocks. Modern manufacturing processes aim to minimize waste through catalytic methods. Unlike some natural alternatives, its synthesis doesn’t require harvesting rare botanical materials.
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References
- PubChem Compound Summary CID N/A
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 1338815-87-4Physical Properties
| Molecular Weight | 178.27 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3🔬 PubChem |
| Boiling Point | 261 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0468 mmHg @ 25°C📊 OPERA |
| Flash Point | 89.4 °C🔬 EPA CompTox |
| Involatility Index | 0.0038💻 Calculated |
| log Kp (skin permeability) | -1.657💻 Calculated |
| SMILES | CC1C2CC(C1C=O)C3C2CCC3🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.4 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | aldehyde💻 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: DTXSID00889291
Physical Properties
| Molecular Weight | 178.275 g/mol🔬 EPA CompTox |
| Density | 1.049 g/cm^3📊 OPERA |
| Boiling Point | 257.731 °C📊 OPERA |
| Melting Point | 63.019 °C📊 OPERA |
| Flash Point | 102.081 °C📊 OPERA |
| Refractive Index | 1.558 Dimensionless📊 OPERA |
| Molar Volume | 166.016 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.996 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.996 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.996 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.73 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.021 mmHg📊 OPERA |
| Viscosity | 13.53 cP📊 OPERA |
| Surface Tension | 37.942 dyn/cm📊 OPERA |
| Thermal Conductivity | 117.497 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 | 0 count💻 Computed |
| Molar Refractivity | 53.539 cm^3/mol📊 OPERA |
| Polarizability | 21.225 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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