Octahydro-4,7-methano-1H-indenecarbaldehyde (CAS 30772-79-3) — Woody Middle to base Note Fragrance Ingredient
Octahydro-4,7-methano-1H-indenecarbaldehyde
CAS 30772-79-3
What Is Octahydro-4,7-methano-1H-indenecarbaldehyde?
Octahydro-4,7-methano-1H-indenecarbaldehyde is a synthetic fragrance ingredient used to add woody, amber-like nuances to perfumes. It’s found in high-end fragrances and personal care products. This aldehyde contributes to long-lasting scent profiles and is prized for its ability to enhance other notes without overpowering them.
Safety Profile
GENERALLY SAFEWhat Does Octahydro-4,7-methano-1H-indenecarbaldehyde Smell Like?
This aldehyde offers a complex olfactory profile, starting with a crisp, slightly green top note that evolves into a warm, woody heart. The dry-down reveals a subtle amber-like sweetness, reminiscent of sun-warmed forest resin. Its behavior is tenacious yet never cloying, making it a versatile backbone in modern perfumery.
2D Molecular Structure
SMILES: *C=O.C1CC2C3CCC(C3)C2C1 |lp:2:2,m:0:11.5.6.9.10.7.8.4.3.12|
Chemistry, Properties & Perfumer Guide
The Chemistry
Octahydro-4,7-methano-1H-indenecarbaldehyde belongs to the class of bicyclic aldehydes. It is synthesized through Diels-Alder reactions followed by oxidation steps. The molecule’s rigid structure contributes to its stability and distinctive odor profile. Its aldehyde group is key to its reactivity and scent characteristics.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds woody-amber depth |
| Personal Care | 0.5-2% | Up to 3% | Used for longevity |
Classic Accords
Tip: Use with citrus notes to brighten the woody character.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
RIFM has conducted safety assessments confirming its safe use in current applications.
Sustainability
As a synthetic material, its production can be controlled for minimal environmental impact. Modern synthesis routes aim for atom economy and reduced waste.
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Ingredient Data Sheet
CAS 30772-79-3Physical Properties
| Molecular Weight | 164.24 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.6🔬 PubChem |
| log Kp (skin permeability) | -1.856💻 Calculated |
| SMILES | C1CC2CC1C3C2C(CC3)C=O🔬 PubChem |
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: DTXSID0051990
Physical Properties
| Molecular Weight | 164.24 g/mol🔬 PubChem |
Partition & Solubility
| LogP (Octanol-Water) | 2.559 dimensionless💻 Computed |
Molecular Descriptors
| Topological Polar Surface Area | 17.07 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 46.6 cm^3/mol💻 Computed |
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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