Acetaldehyde cyclic propylene glycol acetal (CAS 3390-12-3) — Green Top Note Fragrance Ingredient
Acetaldehyde cyclic propylene glycol acetal
CAS 3390-12-3
What Is Acetaldehyde cyclic propylene glycol acetal?
Acetaldehyde cyclic propylene glycol acetal is a synthetic fragrance ingredient used to add fresh, green, and slightly fruity nuances to perfumes. It’s found in some modern floral and citrus fragrances. This molecule helps create crisp top notes that evolve into more complex scents, making fragrances feel more dynamic and lively as they develop on skin.
Safety Profile
USE WITH AWARENESSWhat Does Acetaldehyde cyclic propylene glycol acetal Smell Like?
This acetal delivers a bright, diffusive aroma with pronounced green apple and fresh-cut grass facets. The opening is sharply aldehydic, reminiscent of freshly peeled citrus zest, which quickly mellows into a watery cucumber-like freshness. As it dries down, subtle floral undertones emerge, like the dewy petals of spring blossoms. The overall effect is crisp and transparent, with excellent lift that makes it ideal for top notes in modern compositions.
2D Molecular Structure
SMILES: CC1COC(C)O1
Chemistry, Properties & Perfumer Guide
The Chemistry
Acetaldehyde cyclic propylene glycol acetal belongs to the acetal class of organic compounds, formed by the reaction of acetaldehyde with propylene glycol. Acetals are valued in perfumery for their stability compared to parent aldehydes. This particular acetal is entirely synthetic, produced through acid-catalyzed condensation reactions. The cyclic structure provides enhanced volatility control, releasing the fresh aldehyde character more gradually than free acetaldehyde.
Physical & Chemical Properties
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Adds fresh top notes |
| Functional Fragrance | 0.1-0.5% | Up to 1% | For light freshness |
Classic Accords
Tip: Use with citrus oils to enhance diffusion and create sparkling top notes.
Alternatives & Comparisons
For similar fresh effects with more floral character and better stability in functional products.
When a more pronounced green melon note is desired instead of the apple-like freshness.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions. General guidelines for aldehydes should be observed.
RIFM Assessment
Not currently assessed by RIFM. Use at moderate levels pending further safety data.
Sustainability
As a synthetic material, this acetal has consistent quality and doesn’t rely on natural resource extraction. The production can be optimized for energy efficiency, though some processes may involve petrochemical feedstocks. Being used at low concentrations in formulations, its environmental impact is relatively small compared to bulk ingredients.
Explore Acetaldehyde cyclic propylene glycol acetal
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
Ingredient Data Sheet
CAS 3390-12-3Physical Properties
| Molecular Weight | 102.13 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 0.7🔬 PubChem |
| Boiling Point | 102 °C🔬 EPA CompTox |
| Vapor Pressure | 46.7735 mmHg @ 25°C📊 OPERA |
| Flash Point | 13.8 °C🔬 EPA CompTox |
| Involatility Index | 4.9883💻 Calculated |
| log Kp (skin permeability) | -2.826💻 Calculated |
| SMILES | CC1COC(O1)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Very fast💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | butteryetherealfruitygreensweet• leffingwell |
| Functional Groups | ether💻 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: DTXSID90863166
Physical Properties
| Molecular Weight | 102.133 g/mol🔬 EPA CompTox |
| Density | 0.925 g/cm^3🔬 EPA CTX |
| Boiling Point | 98.941 °C📊 OPERA |
| Melting Point | -57.703 °C📊 OPERA |
| Flash Point | 11.166 °C📊 OPERA |
| Refractive Index | 1.393 Dimensionless📊 OPERA |
| Molar Volume | 110.786 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.528 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 0.528 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.528 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 3.26 Log10 unitless📊 OPERA |
| Water Solubility | 1.409 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 52.961 mmHg📊 OPERA |
| Viscosity | 0.894 cP📊 OPERA |
| Surface Tension | 25.279 dyn/cm📊 OPERA |
| Thermal Conductivity | 127.407 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 | 0 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 26.462 cm^3/mol📊 OPERA |
| Polarizability | 10.49 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.
Related Research
- Ethyl hexanoate (CAS 123-66-0) — Sweet Top Note Fragrance Ingredient
- Hierochloe alpina absolute (CAS 92128-62-6) — Green Heart Note Fragrance Ingredient
- Isobutyl benzoate (CAS 120-50-3) — Sweet Top to middle Note Fragrance Ingredient
- Melilotus officinalis absolute (CAS 8023-73-2) — Sweet Middle to base Note Fragrance Ingredient
