4,7-Methano-1H-indene-5-acetaldehyde, octahydro- (CAS 1339119-15-1) — Woody Middle to base Note Fragrance Ingredient
4,7-Methano-1H-indene-5-acetaldehyde, octahydro-
CAS 1339119-15-1
What Is 4,7-Methano-1H-indene-5-acetaldehyde, octahydro-?
4,7-Methano-1H-indene-5-acetaldehyde, octahydro- is a synthetic fragrance ingredient used in modern perfumery to add woody, amber nuances. You’ll encounter it in fine fragrances and personal care products where it contributes to long-lasting scent profiles. This molecule matters because it helps perfumers create stable, complex accords that evolve beautifully on skin over time.
Safety Profile
GENERALLY SAFEWhat Does 4,7-Methano-1H-indene-5-acetaldehyde, octahydro- Smell Like?
This synthetic aldehyde offers a sophisticated woody-ambergris character with subtle metallic undertones. Initially crisp and slightly camphoraceous, it evolves into a warm, musky dry-down reminiscent of sun-bleached driftwood. The scent profile bridges the gap between traditional amber materials and modern woody synthetics, behaving like a molecular chameleon that amplifies surrounding notes.
2D Molecular Structure
SMILES: O=CCC1CC2CC1C1CCCC21
Chemistry, Properties & Perfumer Guide
The Chemistry
This bicyclic aldehyde belongs to the family of synthetic amber aroma chemicals. While its exact synthesis route is proprietary, similar compounds are typically produced through Diels-Alder reactions followed by hydrogenation and oxidation steps. The molecule’s rigid structure contributes to its exceptional stability and longevity in fragrance formulations.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Used as woody-amber modifier |
| Personal Care | 0.5-1% | Up to 2% | Provides longevity |
Classic Accords
Tip: Use with citrus top notes to create dynamic contrast in woody compositions.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions currently apply.
RIFM Assessment
Not currently assessed by RIFM.
Sustainability
As a synthetic material, this ingredient avoids natural resource depletion concerns. Modern production methods aim to minimize environmental impact through efficient catalysis and waste reduction strategies.
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Ingredient Data Sheet
CAS 1339119-15-1Physical Properties
| Molecular Weight | 178.27 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3🔬 PubChem |
| Boiling Point | 261 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0347 mmHg @ 25°C📊 OPERA |
| Flash Point | 120.3 °C🔬 EPA CompTox |
| Involatility Index | 0.0028💻 Calculated |
| log Kp (skin permeability) | -1.657💻 Calculated |
| SMILES | C1CC2C(C1)C3CC2CC3CC=O🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 2.7 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicwoody• leffingwell |
| 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: DTXSID60889292
Physical Properties
| Molecular Weight | 178.275 g/mol🔬 EPA CompTox |
| Density | 1.037 g/cm^3📊 OPERA |
| Boiling Point | 262.548 °C📊 OPERA |
| Melting Point | 73.433 °C📊 OPERA |
| Flash Point | 118.725 °C📊 OPERA |
| Refractive Index | 1.505 Dimensionless📊 OPERA |
| Molar Volume | 174.338 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.145 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.145 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.145 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.96 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.015 mmHg📊 OPERA |
| Viscosity | 13.184 cP📊 OPERA |
| Surface Tension | 37.301 dyn/cm📊 OPERA |
| Thermal Conductivity | 123.298 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 | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 51.736 cm^3/mol📊 OPERA |
| Polarizability | 20.51 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.
