2,5,5-Trimethyl-2-phenyl-1,3-dioxane (CAS 5406-58-6) — Woody Base Note Fragrance Ingredient
2,5,5-Trimethyl-2-phenyl-1,3-dioxane
CAS 5406-58-6
What Is 2,5,5-Trimethyl-2-phenyl-1,3-dioxane?
2,5,5-Trimethyl-2-phenyl-1,3-dioxane is a synthetic fragrance ingredient used to add woody, balsamic notes to perfumes and scented products. It’s typically found in fine fragrances, home care products, and air fresheners. This ingredient is valued for its ability to enhance complexity and longevity in fragrance compositions, making it a versatile tool for perfumers.
Safety Profile
USE WITH AWARENESSWhat Does 2,5,5-Trimethyl-2-phenyl-1,3-dioxane Smell Like?
2,5,5-Trimethyl-2-phenyl-1,3-dioxane offers a rich, woody-balsamic scent with subtle floral undertones. Its aroma evolves from an initial crispness to a warm, resinous heart, settling into a smooth, long-lasting base. The scent is reminiscent of aged oak barrels, with a touch of dried herbs and a faint sweetness that lingers.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to add depth and woody complexity, enhancing the fragrance’s longevity and warmth.
2D Molecular Structure
SMILES: CC1(C)COC(C)(OC1)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
2,5,5-Trimethyl-2-phenyl-1,3-dioxane is a synthetic dioxane derivative. It is synthesized through the condensation of phenylacetaldehyde with 2-methyl-1,3-propanediol. The resulting compound exhibits a stable, woody-balsamic odor profile, making it useful in fragrance applications.
Physical & Chemical Properties
| Boiling Point | N/A |
|---|---|
| Density | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds woody depth |
| Home Care | 0.5-2% | Up to 3% | Enhances longevity |
Classic Accords
Tip: Use in small amounts to avoid overpowering the composition.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions currently apply.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
Under review by RIFM for safety assessment.
Sustainability
Synthesized from petrochemical sources, with ongoing research into sustainable production methods.
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References
- PubChem: 2,5,5-Trimethyl-2-phenyl-1,3-dioxane PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 5406-58-6Physical Properties
| Molecular Weight | 206.28 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 2.7🔬 PubChem |
| Boiling Point | 260 °C🔬 EPA CompTox |
| Vapor Pressure | 0.0081 mmHg @ 25°C📊 OPERA |
| Flash Point | 125.4 °C🔬 EPA CompTox |
| Involatility Index | 0.0006💻 Calculated |
| log Kp (skin permeability) | -2.041💻 Calculated |
| SMILES | CC1(COC(OC1)(C)C2=CC=CC=C2)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Very slow💻 Calculated |
| Persistence Score | 3.8 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | camphoraceoussweetwoody• leffingwell |
| Functional Groups | etheraromatic💻 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: DTXSID4052188
Physical Properties
| Molecular Weight | 206.285 g/mol🔬 EPA CompTox |
| Density | 1.002 g/cm^3📊 OPERA |
| Boiling Point | 273.047 °C📊 OPERA |
| Melting Point | 26.739 °C📊 OPERA |
| Flash Point | 119.329 °C📊 OPERA |
| Refractive Index | 1.485 Dimensionless📊 OPERA |
| Molar Volume | 209.562 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.035 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.035 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.035 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.62 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.007 mmHg📊 OPERA |
| Viscosity | 8.184 cP📊 OPERA |
| Surface Tension | 34.554 dyn/cm📊 OPERA |
| Thermal Conductivity | 122.67 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 | 60.036 cm^3/mol📊 OPERA |
| Polarizability | 23.8 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.
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