Furan, tetrahydro-2,4-dimethyl-4-phenyl-, (2R,4R)-rel- (CAS 99343-90-5) — Woody Middle Note Fragrance Ingredient
Furan, tetrahydro-2,4-dimethyl-4-phenyl-, (2R,4R)-rel-
CAS 99343-90-5
What Is Furan, tetrahydro-2,4-dimethyl-4-phenyl-, (2R,4R)-rel-?
This synthetic fragrance ingredient is a specialized chemical compound used in modern perfumery. It’s found in niche and avant-garde fragrances seeking unique woody-spicy effects. Its importance lies in creating depth and complexity in contemporary scent compositions, particularly those aiming for unconventional olfactory signatures.
Safety Profile
USE WITH AWARENESSWhat Does Furan, tetrahydro-2,4-dimethyl-4-phenyl-, (2R,4R)-rel- Smell Like?
This molecule delivers a complex aromatic profile with evolving facets. Initially presents sharp, almost medicinal woody tones that quickly transition into a warm, spicy heart with subtle phenolic undertones. The dry-down reveals a persistent leathery-balsamic character with faint smoky nuances. Creates an intriguing tension between clean synthetic crispness and organic depth.
2D Molecular Structure
SMILES: C[C@@H]1C[C@@](C)(CO1)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
This chiral furan derivative belongs to the heterocyclic compound class. The tetrahydrofuran core with phenyl and methyl substitutions creates unique steric and electronic properties. Synthesized through specialized organic routes including furan hydrogenation and subsequent functionalization. The (2R,4R)-relative configuration contributes to its specific olfactory characteristics through selective receptor interactions.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as a modifier in woody-spicy accords |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Provides depth in masculine care products |
Classic Accords
Tip: Use sparingly to add complexity without overwhelming the composition.
Alternatives & Comparisons
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 published RIFM assessment currently available for this compound.
Sustainability
As a synthetic material, production involves petrochemical feedstocks. The specialized synthesis route suggests moderate environmental impact compared to simpler fragrance chemicals. No known biodegradability or bioaccumulation data available.
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Physicochemical Properties
DTXSID: DTXSID6052663
Physical Properties
| Molecular Weight | 176.259 g/mol🔬 EPA CompTox |
| Density | 0.972 g/cm^3📊 OPERA |
| Boiling Point | 250.15 °C📊 OPERA |
| Melting Point | 19.544 °C📊 OPERA |
| Flash Point | 99.664 °C📊 OPERA |
| Refractive Index | 1.502 Dimensionless📊 OPERA |
| Molar Volume | 182.358 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.344 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.344 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.344 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.73 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.072 mmHg📊 OPERA |
| Viscosity | 3.743 cP📊 OPERA |
| Surface Tension | 33.826 dyn/cm📊 OPERA |
| Thermal Conductivity | 124.906 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 9.23 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 53.818 cm^3/mol📊 OPERA |
| Polarizability | 21.335 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.
