1-Propanol, 2-methyl-3-[(1,7,7-trimethylbicyclo-[2.2.1]hept-2-yl)oxy]- (CAS 128119-70-0) — Woody Middle Note Fragrance Ingredient
1-Propanol, 2-methyl-3-[(1,7,7-trimethylbicyclo-[2.2.1]hept-2-yl)oxy]-
CAS 128119-70-0
What Is 1-Propanol, 2-methyl-3-[(1,7,7-trimethylbicyclo-[2.2.1]hept-2-yl)oxy]-?
1-Propanol, 2-methyl-3-[(1,7,7-trimethylbicyclo-[2.2.1]hept-2-yl)oxy]- is a synthetic fragrance ingredient used in fine perfumery to add woody, camphoraceous nuances. It’s found in niche fragrances and air fresheners. This molecule matters because it can mimic natural woody notes while offering superior stability and consistency compared to plant-derived alternatives.
Safety Profile
GENERALLY SAFEWhat Does 1-Propanol, 2-methyl-3-[(1,7,7-trimethylbicyclo-[2.2.1]hept-2-yl)oxy]- Smell Like?
This synthetic molecule opens with a crisp, camphoraceous burst reminiscent of freshly split pine wood. The heart reveals a complex interplay of dry cedar and faintly mentholated nuances, like a winter forest after rain. Dry-down leaves a subtle, clean woody trail with whisper of amber-like warmth. The overall effect is simultaneously refreshing and grounding.
2D Molecular Structure
SMILES: CC(CO)COC1CC2CCC1(C)C2(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
This synthetic terpenoid ether belongs to the bicyclic monoterpenoid class. While not found in nature, its structure mimics modified borneol derivatives. Industrially produced via etherification of terpene alcohols, it offers consistent quality free from natural variation. The rigid bicyclic framework contributes to its excellent stability and distinctive odor profile.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Estimated 250-280°C |
| Density | ~0.95 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-3% | Up to 5% | Woody note enhancer |
| Functional Fragrance | 0.1-1% | Up to 2% | Clean woody base |
Classic Accords
Tip: Use to add structural depth to woody compositions without overwhelming florals.
Alternatives & Comparisons
Natural alternative with similar camphoraceous notes but lower stability and higher cost.
More affordable ester with comparable woody character but less camphor nuance.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
No specific RIFM assessment found due to limited production volume.
Sustainability
As a synthetic material, this ingredient avoids natural resource depletion but requires petrochemical feedstocks. Its production efficiency and consistent quality reduce waste compared to natural alternatives. Future green chemistry routes could improve sustainability.
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Ingredient Data Sheet
CAS 128119-70-0Physical Properties
| Molecular Weight | 226.35 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.4🔬 PubChem |
| Boiling Point | 286 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0001 mmHg @ 25°C📊 OPERA |
| Flash Point | 127.9 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.667💻 Calculated |
| SMILES | CC(CO)COC1CC2CCC1(C2(C)C)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 8.5 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | alcoholether💻 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: DTXSID4051322
Physical Properties
| Molecular Weight | 226.36 g/mol🔬 EPA CompTox |
| Density | 4 g/cm^3🔬 EPA CTX |
| Boiling Point | 283.75 °C🔬 EPA CTX |
| Melting Point | 44.918 °C📊 OPERA |
| Flash Point | 133.5 °C🔬 EPA CTX |
| Refractive Index | 1.489 Dimensionless📊 OPERA |
| Molar Volume | 228.527 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.341 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.746 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.306 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 9.21 Log10 unitless📊 OPERA |
| Water Solubility | 0.005 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.005 mmHg🔬 EPA CTX |
| Viscosity | 11.431 cP📊 OPERA |
| Surface Tension | 33.382 dyn/cm📊 OPERA |
| Thermal Conductivity | 124.188 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 29.46 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 4 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 66.005 cm^3/mol📊 OPERA |
| Polarizability | 26.167 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.
