2-Acetyl-3-methylpyrazine (CAS 23787-80-6) — Spicy Base Note Fragrance Ingredient
2-Acetyl-3-methylpyrazine
CAS 23787-80-6
What Is 2-Acetyl-3-methylpyrazine?
2-Acetyl-3-methylpyrazine is a synthetic aroma compound that delivers a nutty, roasted character to fragrances and flavored foods. Commonly encountered in coffee, chocolate, and tobacco scents. This ingredient matters because it provides authentic roasted notes at extremely low concentrations, making it cost-effective and versatile.
Safety Profile
GENERALLY SAFEWhat Does 2-Acetyl-3-methylpyrazine Smell Like?
At first sniff, 2-acetyl-3-methylpyrazine assaults the senses with an intense burnt popcorn note that quickly settles into a warm, roasted hazelnut character. The dry-down reveals subtle earthy undertones reminiscent of freshly turned soil after rain. Exceptionally potent – a few parts per million create detectable aroma.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to amplify the coffee-chocolate accord in this iconic gourmand. Provides roasted depth that persists through the dry-down.
Contributes to the addictive coffee note in this bestselling feminine fragrance. Works synergistically with vanilla.
2D Molecular Structure
SMILES: CC(=O)C1=C(C)N=CC=N1
Chemistry, Properties & Perfumer Guide
The Chemistry
Pyrazine derivative with ketone substitution. Synthesized via Maillard reaction pathways or from diacetyl precursors. The acetyl group at position 2 creates specific binding affinity for olfactory receptors. No known natural occurrence – exclusively synthetic in perfumery.
Physical & Chemical Properties
| Boiling Point | 198 °C |
|---|---|
| Density | 1.05 g/cm³ |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.001-0.01% | Up to 0.1% | Adds gourmand character |
| Functional Fragrance | 0.0001-0.001% | Up to 0.01% | Masking agent |
Classic Accords
Tip: Always pre-dilute to 1% or lower before incorporating into blends.
Alternatives & Comparisons
When a less roasted, more earthy nutty character is desired. Slightly higher detection threshold.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Self-limiting due to potency.
RIFM Assessment
RIFM has evaluated this material and found it safe at current usage levels.
Sustainability
Synthetic production minimizes agricultural impact. Energy-intensive manufacturing offset by extremely low usage rates. No known ecological toxicity at perfume concentrations.
Explore 2-Acetyl-3-methylpyrazine
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781420090772
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 23787-80-6Physical Properties
| Molecular Weight | 136.15 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 0.2🔬 PubChem |
| Boiling Point | 265 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -3.389💻 Calculated |
| SMILES | CC1=NC=CN=C1C(=O)C🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | hazelnutnuttyroasted• leffingwell |
| Functional Groups | ketonearomatic💻 RDKit |
| 2-Acetyl-3-methylpyrazine has a roasted, nutty, grain-roasted potato odor. It is one of the most important pyrazines for hazelnut or filbert nut flavors. The flavor is less burnt than most of the pyrazines.📖 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: DTXSID7066932
Physical Properties
| Molecular Weight | 136.154 g/mol🔬 EPA CompTox |
| Density | 1.11 g/cm^3🔬 EPA CTX |
| Boiling Point | 265.5 °C🔬 EPA CTX |
| Melting Point | 58.859 °C📊 OPERA |
| Flash Point | 90.515 °C📊 OPERA |
| Refractive Index | 1.515 Dimensionless📊 OPERA |
| Molar Volume | 123.687 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.254 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 0.254 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 0.254 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.87 Log10 unitless📊 OPERA |
| Water Solubility | 0.178 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.13 mmHg📊 OPERA |
| Viscosity | 3.552 cP📊 OPERA |
| Surface Tension | 42.623 dyn/cm📊 OPERA |
| Thermal Conductivity | 135.484 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 | 37.288 cm^3/mol📊 OPERA |
| Polarizability | 14.782 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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