2,4,6-Trimethyl-4-phenyl-1,3-dioxane (CAS 5182-36-5) — Woody Middle Note Fragrance Ingredient
2,4,6-Trimethyl-4-phenyl-1,3-dioxane
CAS 5182-36-5
What Is 2,4,6-Trimethyl-4-phenyl-1,3-dioxane?
2,4,6-Trimethyl-4-phenyl-1,3-dioxane is a synthetic fragrance ingredient used to add woody, herbal, and slightly spicy notes to perfumes. It’s often found in masculine fragrances and colognes. This compound is valued for its stability and ability to enhance other ingredients, making it a versatile tool for perfumers.
Safety Profile
GENERALLY SAFEWhat Does 2,4,6-Trimethyl-4-phenyl-1,3-dioxane Smell Like?
2,4,6-Trimethyl-4-phenyl-1,3-dioxane opens with a crisp, woody aroma reminiscent of freshly cut cedar. As it develops, subtle herbal nuances emerge, akin to dried lavender or sage. The dry-down reveals a faint spiciness, similar to black pepper, balanced by a smooth, slightly sweet undertone. Its evolution is linear yet sophisticated, providing a stable backbone in complex accords.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to enhance the woody, spicy facets, adding depth and longevity to the fresh top notes.
Contributes to the aromatic fougère structure, balancing citrus and woody elements.
2D Molecular Structure
SMILES: CC1CC(C)(OC(C)O1)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
2,4,6-Trimethyl-4-phenyl-1,3-dioxane is a synthetic dioxane derivative. It is typically synthesized via acid-catalyzed condensation of phenylacetaldehyde with 2-methyl-1,3-propanediol. The resulting compound exhibits high stability and low volatility, making it ideal for perfumery. Its structure allows for subtle interactions with other fragrance molecules, enhancing overall accord complexity.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds woody depth |
| Personal Care | 0.5-2% | Up to 5% | Stabilizes herbal notes |
Classic Accords
Tip: Use in moderation to avoid overpowering other notes.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific restrictions under current IFRA standards.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
RIFM assessment pending; currently considered safe at typical usage levels.
Sustainability
Synthesized from petrochemical precursors; efforts underway to develop greener synthetic routes.
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References
- PubChem Compound Summary for 2,4,6-Trimethyl-4-phenyl-1,3-dioxane PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID7052157
Physical Properties
| Molecular Weight | 206.285 g/mol🔬 EPA CompTox |
| Density | 0.982 g/cm^3📊 OPERA |
| Boiling Point | 278.5 °C🔬 EPA CTX |
| Melting Point | 26.331 °C📊 OPERA |
| Flash Point | 120.312 °C📊 OPERA |
| Refractive Index | 1.481 Dimensionless📊 OPERA |
| Molar Volume | 211.131 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.978 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.978 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.978 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.56 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.005 mmHg📊 OPERA |
| Viscosity | 4.587 cP📊 OPERA |
| Surface Tension | 33.246 dyn/cm📊 OPERA |
| Thermal Conductivity | 127.658 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 18.46 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 60.131 cm^3/mol📊 OPERA |
| Polarizability | 23.838 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.
