4-Methyl-2-(1-phenylethyl)-1,3-dioxolane (CAS 67634-23-5) — Floral Heart Note Fragrance Ingredient
4-Methyl-2-(1-phenylethyl)-1,3-dioxolane
CAS 67634-23-5
What Is 4-Methyl-2-(1-phenylethyl)-1,3-dioxolane?
4-Methyl-2-(1-phenylethyl)-1,3-dioxolane is a synthetic fragrance ingredient used to add fresh, floral, and slightly woody nuances to perfumes. It’s commonly found in modern floral and oriental fragrances. This molecule matters because it offers perfumers a stable, long-lasting floralcy that blends beautifully with both natural and synthetic ingredients, creating sophisticated scent profiles.
Safety Profile
GENERALLY SAFEWhat Does 4-Methyl-2-(1-phenylethyl)-1,3-dioxolane Smell Like?
This molecule opens with a crisp, slightly green floralcy reminiscent of lily of the valley, evolving into a heart of soft rose petals with a whisper of honeyed sweetness. The dry-down reveals a subtle woody-musky foundation that lingers close to the skin. Imagine dew-kissed petals at dawn transitioning to a sun-warmed wooden arbor by afternoon.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to enhance the jasmine accord, providing a clean floral lift that contrasts beautifully with the vanilla base.
Contributes to the sparkling quince note, adding dimension to the white musks in this youthful floral.
2D Molecular Structure
SMILES: CC(C1OCC(C)O1)C1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
4-Methyl-2-(1-phenylethyl)-1,3-dioxolane belongs to the dioxolane class of acetals, typically synthesized through acid-catalyzed reactions of aldehydes with diols. Its structure features a chiral center, with enantiomers potentially exhibiting different olfactory profiles. The phenyl group contributes to its stability and tenacity in fragrance formulations.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Boiling Point | Not well documented |
| Density | Approx. 1.0 g/cm³ (estimated) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-5% | Up to 10% | Adds floral complexity |
| Personal Care | 0.5-2% | Up to 3% | Used for clean floral notes |
Classic Accords
Tip: Works particularly well when paired with rosy or peony notes to enhance their naturalness.
Alternatives & Comparisons
When a simpler, more direct rose character is desired without the woody undertones.
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
RIFM has evaluated this material and found it safe for current use levels.
Sustainability
As a synthetic material, production can be carefully controlled to minimize environmental impact. The petrochemical starting materials are common in fragrance manufacturing, allowing for efficient supply chains.
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References
- PubChem Compound Summary for 4-Methyl-2-(1-phenylethyl)-1,3-dioxolane PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID7052361
Physical Properties
| Molecular Weight | 192.258 g/mol🔬 EPA CompTox |
| Density | 1.027 g/cm^3📊 OPERA |
| Boiling Point | 260.935 °C📊 OPERA |
| Melting Point | 35.218 °C📊 OPERA |
| Flash Point | 109.54 °C📊 OPERA |
| Refractive Index | 1.508 Dimensionless📊 OPERA |
| Molar Volume | 186.351 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.683 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.683 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.683 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.96 Log10 unitless📊 OPERA |
| Water Solubility | 0.005 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.009 mmHg📊 OPERA |
| Viscosity | 7.673 cP📊 OPERA |
| Surface Tension | 36.555 dyn/cm📊 OPERA |
| Thermal Conductivity | 119.909 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 | 2 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 55.556 cm^3/mol📊 OPERA |
| Polarizability | 22.024 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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