Tetrahydro-2-methyl-4-methylene-6-phenyl-2H-pyrane (CAS 30310-41-9) — Woody Middle Note Fragrance Ingredient
Tetrahydro-2-methyl-4-methylene-6-phenyl-2H-pyrane
CAS 30310-41-9
What Is Tetrahydro-2-methyl-4-methylene-6-phenyl-2H-pyrane?
Tetrahydro-2-methyl-4-methylene-6-phenyl-2H-pyrane is a synthetic fragrance ingredient used in modern perfumery. It contributes to fresh, woody, and slightly floral accords. You might encounter it in contemporary floral or woody fragrances where it adds a subtle complexity. This molecule matters because it represents how modern chemistry expands the perfumer’s palette beyond natural materials, allowing for novel scent profiles that can’t be achieved with traditional ingredients alone.
Safety Profile
GENERALLY SAFEWhat Does Tetrahydro-2-methyl-4-methylene-6-phenyl-2H-pyrane Smell Like?
This synthetic pyrane derivative offers a delicate balance between fresh woody tones and subtle floralcy. Initially presents with a crisp, almost ozonic top note that quickly evolves into a smooth woody-heart character with whispers of dried rose petals. The dry-down reveals a clean, slightly musky base that lingers close to the skin. Imagine the scent of freshly planed cedarwood lightly dusted with violet powder, then wrapped in a sheer veil of clean linen.
2D Molecular Structure
SMILES: CC1CC(=C)CC(O1)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Tetrahydro-2-methyl-4-methylene-6-phenyl-2H-pyrane belongs to the class of cyclic ethers known as pyrans. As a synthetic material, it doesn’t occur naturally. The molecule features a phenyl group at the 6-position which contributes to its woody-floral character. Synthesis typically involves cyclization reactions of appropriate precursors under acidic conditions. The methylene group at the 4-position makes this compound reactive towards nucleophiles, which perfumers can exploit in fragrance development.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Woody-floral modifier |
| Functional Fragrance | 0.5-1.5% | Up to 2% | Clean scent booster |
Classic Accords
Tip: Use as a bridge between woody and floral notes to create seamless transitions in modern compositions.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions currently apply to this material.
RIFM Assessment
Limited safety assessment data available from RIFM.
Sustainability
As a synthetic material, this compound offers consistent quality without natural sourcing constraints. Production can be optimized for minimal environmental impact through green chemistry principles. Being petroleum-derived, its sustainability depends on the manufacturer’s energy sources and waste management practices.
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Ingredient Data Sheet
CAS 30310-41-9Physical Properties
| Molecular Weight | 188.26 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.8🔬 PubChem |
| Boiling Point | 280 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0047 mmHg @ 25°C📊 OPERA |
| Flash Point | 111.3 °C🔬 EPA CompTox |
| Involatility Index | 0.0004💻 Calculated |
| log Kp (skin permeability) | -1.86💻 Calculated |
| SMILES | CC1CC(=C)CC(O1)C2=CC=CC=C2🔬 PubChem |
Volatility & Performance
| Fragrance Note | Base💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 4.2 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | etheralkenearomatic💻 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: DTXSID2051978
Physical Properties
| Molecular Weight | 188.27 g/mol🔬 EPA CompTox |
| Density | 0.997 g/cm^3📊 OPERA |
| Boiling Point | 273.028 °C📊 OPERA |
| Melting Point | 53.279 °C📊 OPERA |
| Flash Point | 107.841 °C📊 OPERA |
| Refractive Index | 1.53 Dimensionless📊 OPERA |
| Molar Volume | 188.985 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.235 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.235 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.235 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.34 Log10 unitless📊 OPERA |
| Water Solubility | 0.001 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.007 mmHg📊 OPERA |
| Viscosity | 7.789 cP📊 OPERA |
| Surface Tension | 36.557 dyn/cm📊 OPERA |
| Thermal Conductivity | 126.764 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 | 58.357 cm^3/mol📊 OPERA |
| Polarizability | 23.134 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.
