2-[8-Isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane (CAS 68901-32-6) — Woody Base Note Fragrance Ingredient
2-[8-Isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane
CAS 68901-32-6
What Is 2-[8-Isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane?
2-[8-Isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane is a synthetic fragrance ingredient used in perfumery for its unique woody and slightly floral characteristics. It is found in niche fragrances and some household products. This compound matters because it offers perfumers a stable, long-lasting woody note that blends well with both floral and citrus accords, providing depth and complexity to modern fragrance compositions.
Safety Profile
GENERALLY SAFEWhat Does 2-[8-Isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane Smell Like?
This synthetic molecule delivers a sophisticated woody aroma with subtle floral undertones. Initially, it presents a crisp, slightly green top note that evolves into a heart of warm, resinous woodiness. The dry-down reveals a lingering, slightly sweet balsamic character, reminiscent of aged cedarwood with a touch of amber. Its odor profile is both modern and timeless, making it versatile in contemporary perfumery.
2D Molecular Structure
SMILES: CC(C)C1CC2C(CC1C=C2C)C1OCCO1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-[8-Isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane is a bicyclic compound with a dioxolane functional group. It is synthesized through the reaction of isopropenyl methyl ketone with a suitable diol under acidic conditions. The molecule’s rigid bicyclic structure contributes to its stability and longevity in fragrance formulations. Its synthetic origin allows for consistent quality and purity, free from the variability of natural sources.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Provides woody depth |
| Household Products | 0.5-2% | Up to 5% | Adds sophistication |
Classic Accords
Tip: Use in small amounts to enhance woody accords without overpowering other notes.
Alternatives & Comparisons
A more widely used synthetic woody note with similar stability and blending properties.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to this ingredient.
RIFM Assessment
No specific RIFM assessment found; generally regarded as safe for use in fragrances.
Sustainability
As a synthetic ingredient, this compound is produced in controlled laboratory settings, reducing the environmental impact associated with harvesting natural materials. Its synthesis can be optimized for minimal waste and energy use, making it a sustainable choice for modern perfumery.
Explore 2-[8-Isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
References
- PubChem Compound Summary for 2-[8-Isopropyl-6-methylbicyclo[2.2.2]oct-5-en-2-yl]-1,3-dioxolane PubChem CID: N/A
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 68901-32-6Physical Properties
| Molecular Weight | 236.35 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3🔬 PubChem |
| Boiling Point | 296 °C🔬 EPA CompTox |
| Vapor Pressure | 0 mmHg @ 25°C📊 OPERA |
| Flash Point | 150.3 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -2.012💻 Calculated |
| SMILES | CC1=CC2CC(C1CC2C(C)C)C3OCCO3🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 10 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | etheralkene💻 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: DTXSID4052427
Physical Properties
| Molecular Weight | 236.355 g/mol🔬 EPA CompTox |
| Density | 1.021 g/cm^3📊 OPERA |
| Boiling Point | 299.145 °C📊 OPERA |
| Melting Point | 58.671 °C📊 OPERA |
| Flash Point | 139.477 °C📊 OPERA |
| Refractive Index | 1.503 Dimensionless📊 OPERA |
| Molar Volume | 230.791 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.685 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.685 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.685 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 7.43 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.001 mmHg📊 OPERA |
| Viscosity | 14.903 cP📊 OPERA |
| Surface Tension | 33.223 dyn/cm📊 OPERA |
| Thermal Conductivity | 126.96 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 18.46 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 68.208 cm^3/mol📊 OPERA |
| Polarizability | 27.04 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.
Related Research
- Diethyl phthalate (CAS 84-66-2) — Citrus Fixative Note Fragrance Ingredient
- 1,5-Cyclododecadiene, 9-methoxy-1,6,10-trimethyl- (CAS 900779-74-0) — Woody Middle to base Note Fragrance Ingredient
- 1-Octen-3-yl acetate (CAS 2442-10-6) — Woody Heart Note Fragrance Ingredient
- Isoamyl Isothiocyanate (CAS 628-03-5) — Top Note Fragrance Ingredient
