Tetrahydro-4-methyl-2-phenyl-2H-pyran (CAS 94201-73-7) — Green Top to middle Note Fragrance Ingredient
Tetrahydro-4-methyl-2-phenyl-2H-pyran
CAS 94201-73-7
What Is Tetrahydro-4-methyl-2-phenyl-2H-pyran?
Tetrahydro-4-methyl-2-phenyl-2H-pyran is a synthetic fragrance ingredient used to add floral and herbal nuances to perfumes. It’s found in personal care products like soaps and detergents. This molecule helps create fresh, clean scent profiles that evoke nature while being cost-effective and stable in formulations.
Safety Profile
GENERALLY SAFEWhat Does Tetrahydro-4-methyl-2-phenyl-2H-pyran Smell Like?
This synthetic molecule opens with a crisp, slightly herbal freshness reminiscent of crushed green stems. As it develops, a delicate floralcy emerges – like the ghost of rose petals floating over wet stones. The dry-down reveals a subtle woody-phenolic character that adds surprising depth, leaving a clean yet slightly mysterious trail. Though synthetic in origin, it carries an almost botanical nuance that perfumers use to ‘green up’ floral compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to enhance the laundry-fresh concept with a green floralcy that prevents the scent from becoming too soapy or flat.
Contributes to the crisp herbal top notes that make this fragrance so refreshing and natural-smelling.
2D Molecular Structure
SMILES: CC1CCOC(C1)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Tetrahydro-4-methyl-2-phenyl-2H-pyran is a synthetic cyclic ether with a phenyl substituent. This structure gives it both floral and herbal odor characteristics. The molecule features a tetrahydropyran ring system, which contributes to its stability in formulations. Synthesis typically involves the hydrogenation of corresponding pyran derivatives or through cyclization reactions of appropriate precursors.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Used as a floral-green modifier |
| Functional Fragrances | 0.1-0.5% | Up to 1% | Adds freshness to detergents |
Classic Accords
Tip: Use with citrus notes to prevent harshness in the top note.
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
Currently under assessment by RIFM with preliminary data showing no significant concerns.
Sustainability
As a synthetic ingredient, production can be optimized for minimal environmental impact. The manufacturing process allows for consistent quality and reduces pressure on natural resources compared to plant-derived alternatives. Future development could explore more sustainable synthetic routes.
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Physicochemical Properties
DTXSID: DTXSID90869209
Physical Properties
| Molecular Weight | 176.259 g/mol🔬 EPA CompTox |
| Density | 0.989 g/cm^3🔬 EPA CTX |
| Boiling Point | 258.893 °C📊 OPERA |
| Melting Point | 47.181 °C📊 OPERA |
| Flash Point | 114 °C🔬 EPA CTX |
| Refractive Index | 1.504 Dimensionless📊 OPERA |
| Molar Volume | 181.673 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1346.715 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 3.094 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.094 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.77 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.026 mmHg🔬 EPA CTX |
| Viscosity | 6.805 cP📊 OPERA |
| Surface Tension | 34.772 dyn/cm📊 OPERA |
| Thermal Conductivity | 126.158 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 | 53.816 cm^3/mol📊 OPERA |
| Polarizability | 21.334 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.
