Phenylacetaldehyde diethyl acetal (CAS 6314-97-2) — Floral Top to middle Note Fragrance Ingredient
Phenylacetaldehyde diethyl acetal
CAS 6314-97-2
What Is Phenylacetaldehyde diethyl acetal?
Phenylacetaldehyde diethyl acetal is a synthetic fragrance ingredient used to create fresh, floral-green notes in perfumes and scented products. You’ll find it in air fresheners, fabric softeners, and floral perfumes. This versatile molecule matters because it provides a stable, long-lasting alternative to natural floral aldehydes, allowing perfumers to craft consistent scents that don’t degrade quickly in consumer products.
Safety Profile
GENERALLY SAFEWhat Does Phenylacetaldehyde diethyl acetal Smell Like?
Phenylacetaldehyde diethyl acetal opens with a crisp green freshness reminiscent of crushed stems, evolving into a honeyed floralcy that suggests hyacinth and lily-of-the-valley. The dry-down reveals a subtle powdery sweetness, like the lingering scent left on skin after handling spring flowers. Unlike its aldehyde parent, this acetal version delivers a smoother, more rounded floral character without sharp edges, making it ideal for modern floral bouquets where a naturalistic green-floral effect is desired.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to enhance the green floralcy of galbanum and iris, providing a crisp top note that bridges the citrus opening to the powdery heart.
Employed as a supporting actor to muguet, lending a dewy freshness that makes the lily-of-the-valley accord more lifelike.
2D Molecular Structure
SMILES: CCOC(CC1=CC=CC=C1)OCC
Chemistry, Properties & Perfumer Guide
The Chemistry
Phenylacetaldehyde diethyl acetal belongs to the acetal class of fragrance compounds, formed by reacting phenylacetaldehyde with ethanol in the presence of an acid catalyst. This protection of the reactive aldehyde group creates a more stable molecule that gradually releases the parent aldehyde during fragrance evaporation. The synthesis typically involves azeotropic distillation to drive the equilibrium toward product formation. While not found in nature, its controlled breakdown mimics the slow release of floral aldehydes found in living flowers.
Physical & Chemical Properties
| Boiling Point | 198-200 °C |
|---|---|
| Density | 0.965-0.975 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Floral modifier |
| Functional Fragrance | 0.5-2% | Up to 3% | Fresh floral boost |
Classic Accords
Tip: Use with citrus top notes to prevent the floralcy from becoming too heavy.
Alternatives & Comparisons
The parent aldehyde provides stronger floral impact but is less stable in formulations.
Similar floral character but with slightly different volatility profile.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No restrictions under IFRA standards.
RIFM Assessment
RIFM has evaluated this material and found it safe for current usage levels.
Sustainability
As a synthetic material, phenylacetaldehyde diethyl acetal avoids the agricultural impacts of natural floral extracts. Its efficient synthesis from petrochemical precursors makes it a consistent, scalable ingredient. The acetal group’s stability reduces waste in formulations by preventing premature degradation.
Explore Phenylacetaldehyde diethyl acetal
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References
- Bauer et al. (2001). Common Fragrance and Flavor Materials. Wiley-VCH.
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID2052314
Physical Properties
| Molecular Weight | 194.274 g/mol🔬 EPA CompTox |
| Density | 0.956 g/cm^3📊 OPERA |
| Boiling Point | 237.5 °C🔬 EPA CTX |
| Melting Point | 3.168 °C📊 OPERA |
| Flash Point | 83.01 °C📊 OPERA |
| Refractive Index | 1.486 Dimensionless📊 OPERA |
| Molar Volume | 201.379 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.782 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 2.782 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.782 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 6.1 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.032 mmHg📊 OPERA |
| Viscosity | 3.458 cP📊 OPERA |
| Surface Tension | 32.944 dyn/cm📊 OPERA |
| Thermal Conductivity | 135.11 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 | 6 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 57.783 cm^3/mol📊 OPERA |
| Polarizability | 22.907 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.
