2-(Tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol (CAS 60047-17-8) — Woody Middle Note Fragrance Ingredient
2-(Tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol
CAS 60047-17-8
What Is 2-(Tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol?
2-(Tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol is a synthetic fragrance ingredient used in modern perfumery. It imparts unique woody and slightly fruity nuances. Found in niche fragrances, it adds complexity to contemporary scent compositions. This molecule matters because it represents cutting-edge perfumery, allowing creators to achieve novel olfactory effects not found in nature.
Safety Profile
GENERALLY SAFEWhat Does 2-(Tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol Smell Like?
This synthetic molecule offers a fascinating olfactory profile. It opens with a subtle woody character reminiscent of freshly cut cedar, gradually revealing a delicate fruity undertone akin to ripe pears. The dry-down presents a clean, slightly sweet finish with hints of green freshness, making it versatile in modern fragrance construction.
2D Molecular Structure
SMILES: CC(C)(O)C1CCC(C)(O1)C=C
Chemistry, Properties & Perfumer Guide
The Chemistry
2-(Tetrahydro-5-methyl-5-vinyl-2-furyl)propan-2-ol is a synthetic furan derivative. Its structure combines furan and propanol moieties, creating unique olfactory properties. The molecule is typically synthesized through catalytic hydrogenation and subsequent functional group modifications. Its stereochemistry may influence odor characteristics, though specific studies on chiral forms are limited.
Physical & Chemical Properties
| Molecular Weight | N/A |
|---|---|
| Boiling Point | N/A |
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds woody-fruity complexity |
| Functional Fragrances | 0.5-1% | Up to 2% | Provides subtle freshness |
Classic Accords
Tip: Use in small quantities to enhance woody accords without overpowering.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply.
RIFM Assessment
No RIFM safety assessment currently available.
Sustainability
As a synthetic molecule, this ingredient avoids natural resource depletion. However, its production requires energy and chemical inputs. Future green chemistry approaches may improve its sustainability profile.
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Physicochemical Properties
DTXSID: DTXSID60863673
Physical Properties
| Molecular Weight | 170.252 g/mol🔬 EPA CompTox |
| Density | 0.944 g/cm^3🔬 EPA CTX |
| Boiling Point | 196.3 °C🔬 EPA CTX |
| Melting Point | 24.727 °C📊 OPERA |
| Flash Point | 74.5 °C🔬 EPA CTX |
| Refractive Index | 1.52 Dimensionless📊 OPERA |
| Molar Volume | 166.285 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.43 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 2.259 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.259 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.7 Log10 unitless📊 OPERA |
| Water Solubility | 0.016 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 1.38 mmHg🔬 EPA CTX |
| Viscosity | 11.401 cP📊 OPERA |
| Surface Tension | 34.984 dyn/cm📊 OPERA |
| Thermal Conductivity | 133.854 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 | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 50.543 cm^3/mol📊 OPERA |
| Polarizability | 20.037 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.
