2-Acetyl-2-thiazoline (CAS 29926-41-8) — Sweet Heart Note Fragrance Ingredient
2-Acetyl-2-thiazoline
CAS 29926-41-8
What Is 2-Acetyl-2-thiazoline?
2-Acetyl-2-thiazoline is a synthetic aroma chemical used in food flavorings and fine fragrances. It imparts a roasted, popcorn-like note that adds warmth and complexity. This molecule is valued by perfumers for its ability to create savory gourmand effects at extremely low concentrations, making it a powerful tool in modern fragrance design.
Safety Profile
USE WITH AWARENESSWhat Does 2-Acetyl-2-thiazoline Smell Like?
2-Acetyl-2-thiazoline delivers an intense, diffusive aroma that evolves from sharp roasted peanuts at first sniff to a warm, buttery popcorn heart. The dry-down reveals subtle sulfurous nuances reminiscent of freshly baked bread crust, with a lingering toasted cereal character. At dilution, it creates an addictive savory facet that blends beautifully with vanilla and caramel notes.
2D Molecular Structure
SMILES: CC(=O)C1=NCCS1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Acetyl-2-thiazoline belongs to the thiazole class of heterocyclic compounds, characterized by a five-membered ring containing both nitrogen and sulfur atoms. While naturally occurring in trace amounts in cooked foods like popcorn and roasted meats, commercial production typically involves condensation reactions of α-mercaptoketones with nitriles. The molecule’s potency stems from its planar structure and electron-rich thiazole ring system.
Physical & Chemical Properties
| Odor Threshold | 0.02 ppb in water |
|---|
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.001-0.01% | Up to 0.05% | Gourmand modifier |
| Functional Fragrance | 0.0001-0.001% | Up to 0.005% | Savory laundry effects |
Classic Accords
Tip: Always pre-dilute to 0.1% or lower before incorporating into blends.
Alternatives & Comparisons
Offers similar roasted notes without sulfurous aspects, ideal when a cleaner popcorn effect is desired.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA.
RIFM Assessment
Safety assessment completed by RIFM with no significant concerns at typical usage levels.
Sustainability
As a synthetic material produced through controlled chemical processes, 2-acetyl-2-thiazoline has minimal environmental impact compared to natural alternatives requiring agricultural land. Modern synthesis routes optimize atom economy and reduce waste streams.
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Physicochemical Properties
DTXSID: DTXSID60184037
Physical Properties
| Molecular Weight | 129.18 g/mol🔬 EPA CompTox |
| Density | 1.217 g/cm^3📊 OPERA |
| Boiling Point | 222.5 °C🔬 EPA CTX |
| Melting Point | 25.5 °C🔬 EPA CTX |
| Flash Point | 78.212 °C📊 OPERA |
| Refractive Index | 1.609 Dimensionless📊 OPERA |
| Molar Volume | 99.773 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | -0.89 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.567 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.552 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.12 Log10 unitless📊 OPERA |
| Water Solubility | 0.272 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.217 mmHg📊 OPERA |
| Surface Tension | 41.09 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 29.43 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 34.566 cm^3/mol📊 OPERA |
| Polarizability | 13.703 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.
