Bis(hydroxymethyl)tricyclo[5.2.1.02,6]decane (CAS 26160-83-8) — Woody Middle Note Fragrance Ingredient
Bis(hydroxymethyl)tricyclo[5.2.1.02,6]decane
CAS 26160-83-8
What Is Bis(hydroxymethyl)tricyclo[5.2.1.02,6]decane?
Bis(hydroxymethyl)tricyclo[5.2.1.02,6]decane is a synthetic fragrance ingredient primarily used in niche perfumery. It’s found in avant-garde compositions where unusual molecular structures create distinctive olfactory effects. This compound matters because it represents how modern chemistry expands perfumers’ palettes beyond traditional materials, enabling novel scent architectures.
Safety Profile
GENERALLY SAFEWhat Does Bis(hydroxymethyl)tricyclo[5.2.1.02,6]decane Smell Like?
This synthetic molecule presents a complex olfactory profile with crisp woody-amber facets reminiscent of freshly planed cedarwood, layered with subtle camphoraceous coolness. The initial burst carries a metallic-mineral edge that evolves into a smooth, slightly sweet woody heart. Dry-down reveals remarkable tenacity with lingering effects that blend well with modern amber bases, adding structural depth without overwhelming compositions.
2D Molecular Structure
SMILES: OC*.OCC1CC2CC1C1CCCC21 |lp:0:2,3:2,m:2:12.13.6|
Chemistry, Properties & Perfumer Guide
The Chemistry
Bis(hydroxymethyl)tricyclo[5.2.1.02,6]decane belongs to the class of polycyclic alcohols with a rigid tricyclic framework. The molecule features two hydroxymethyl groups attached to a strained decane skeleton. Synthesis typically involves Diels-Alder reactions followed by hydroxylation steps. The constrained geometry creates unique diffusion properties, while the hydroxyl groups enable hydrogen bonding that influences volatility and substantivity.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Structural modifier |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Fixative component |
Classic Accords
Tip: Use to add skeletal structure to woody-amber bases without excessive sweetness.
Alternatives & Comparisons
For similar woody effects with more pronounced cedar character and higher volatility.
When seeking comparable structural effects but with added amber warmth and smoother transition.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA standards.
RIFM Assessment
No RIFM assessment publicly available as of current data.
Sustainability
As a synthetic material, this compound avoids natural resource depletion concerns. Production likely involves petrochemical feedstocks, though its high potency means minimal quantities are required in formulations. Future green chemistry approaches may offer more sustainable synthesis routes for this specialized ingredient.
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Ingredient Data Sheet
CAS 26160-83-8Physical Properties
| Molecular Weight | 196.29 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.5🔬 PubChem |
| log Kp (skin permeability) | -2.832💻 Calculated |
Odor & Flavor
| Primary Descriptors | balsamicwoody• leffingwell |
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: DTXSID801043461
Physical Properties
| Molecular Weight | 196.29 g/mol🔬 PubChem |
Partition & Solubility
| LogP (Octanol-Water) | 1.536 dimensionless💻 Computed |
Molecular Descriptors
| Topological Polar Surface Area | 40.46 Ų💻 Computed |
| H-Bond Donors | 2 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 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.
