Acetylpyrazine (CAS 22047-25-2) — Sweet Heart to base Note Fragrance Ingredient
Acetylpyrazine
CAS 22047-25-2
What Is Acetylpyrazine?
Acetylpyrazine is a synthetic aroma chemical that adds a nutty, popcorn-like character to fragrances. You’ll encounter it in gourmand scents and some masculine colognes where it provides depth. This molecule matters because it creates a bridge between food-like warmth and sophisticated perfumery, often used to enhance tobacco or coffee accords without being overly sweet.
Safety Profile
USE WITH AWARENESSWhat Does Acetylpyrazine Smell Like?
Acetylpyrazine bursts with an intense roasted nut character—think freshly popped popcorn drizzled with browned butter. The top note carries a slightly metallic edge that evolves into a warm, toasted bread heart. In drydown, it reveals a lingering savory quality reminiscent of roasted coffee beans or tobacco leaves, adding complexity without sweetness. At high concentrations, it can smell rubbery, but when properly diluted, it becomes a versatile gourmand enhancer.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the coffee and chocolate accord, adding a roasted depth that prevents the gourmand elements from becoming cloying.
Provides the subtle toasted tobacco leaf impression that makes this fragrance smell like unlit pipe tobacco rather than smoke.
2D Molecular Structure
SMILES: CC(=O)C1=NC=CN=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
Acetylpyrazine belongs to the pyrazine class of heterocyclic compounds, known for their potent aroma characteristics. While pyrazines occur naturally in roasted foods, perfumery uses synthetically produced acetylpyrazine for consistency. It’s typically synthesized through the reaction of pyrazine with acetic anhydride. The molecule’s planar structure allows it to bind effectively to olfactory receptors, explaining its high potency at low concentrations.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Threshold | 0.1 ppb in water |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.01-0.1% | Up to 0.5% | Potent modifier |
| Functional Fragrance | 0.001-0.01% | Up to 0.05% | For savory food aromas |
Classic Accords
Tip: Always pre-dilute to 1% or lower before incorporating due to intense aroma.
Alternatives & Comparisons
Offers similar roasted notes but with more popcorn-like character and less nuttiness.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific restrictions under current IFRA standards (as of 48th Amendment).
RIFM Assessment
Recognized as safe for use in fragrances at current industry levels by RIFM.
Sustainability
As a synthetic material, acetylpyrazine has minimal environmental impact in production. Its extreme potency means very small quantities are needed, reducing overall chemical load in formulations compared to natural alternatives requiring higher usage levels.
Explore Acetylpyrazine
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090869
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 22047-25-2Physical Properties
| Molecular Weight | 122.12 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 0.2🔬 PubChem |
| Boiling Point | 219 °C🔬 EPA CompTox |
| Vapor Pressure | 0.2291 mmHg @ 25°C📊 OPERA |
| Flash Point | 87 °C🔬 EPA CompTox |
| Involatility Index | 0.0223💻 Calculated |
| log Kp (skin permeability) | -3.303💻 Calculated |
| SMILES | CC(=O)C1=NC=CN=C1🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
| Volatility Class | Slow💻 Calculated |
| Persistence Score | 0.7 / 5💻 Calculated |
Odor & Flavor
| Primary Descriptors | nutty• leffingwell |
| Functional Groups | ketonearomatic💻 RDKit |
| Acetylpyrazine has a flavor reminiscent of popcorn.📖 Fenaroli | |
Sensory Thresholds
| Odor Detection Threshold | 0.011 ppm (n=4)📖 van Gemert |
Regulatory Status
| IOFI Classification | Nature Identical📖 Fenaroli |
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: DTXSID5047085
Physical Properties
| Molecular Weight | 122.127 g/mol🔬 EPA CompTox |
| Density | 1.134 g/cm^3📊 OPERA |
| Boiling Point | 211.851 °C📊 OPERA |
| Melting Point | 76.6 °C🔬 EPA CTX |
| Flash Point | 85.726 °C📊 OPERA |
| Refractive Index | 1.516 Dimensionless📊 OPERA |
| Molar Volume | 107.411 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.2 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | 0.18 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.18 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.31 Log10 unitless📊 OPERA |
| Water Solubility | 0.918 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.215 mmHg📊 OPERA |
| Viscosity | 3.187 cP📊 OPERA |
| Surface Tension | 44.307 dyn/cm📊 OPERA |
| Thermal Conductivity | 137.501 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 42.85 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 3 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 32.463 cm^3/mol📊 OPERA |
| Polarizability | 12.869 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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