Pyrazine, (1,1-dimethylethyl)- (CAS 32741-11-0) — Woody Top to middle Note Fragrance Ingredient
Pyrazine, (1,1-dimethylethyl)-
CAS 32741-11-0
What Is Pyrazine, (1,1-dimethylethyl)-?
Pyrazine, (1,1-dimethylethyl)- is a synthetic aroma chemical used in niche perfumery to create unique earthy and nutty accents. You might encounter it in avant-garde fragrances that push olfactory boundaries. This ingredient matters because it adds a sophisticated, slightly roasted character that can’t be achieved with traditional materials, offering perfumers a tool for modern, unconventional compositions.
Safety Profile
USE WITH AWARENESSWhat Does Pyrazine, (1,1-dimethylethyl)- Smell Like?
This pyrazine derivative delivers an intriguing juxtaposition of roasted nuts and damp earth, like freshly turned soil after rain mixed with the scent of hazelnut skins. The opening is sharp and slightly phenolic, evolving into a warm, toasted character reminiscent of coffee beans or cocoa nibs. In drydown, it leaves a subtle woody-ambery trace that blends well with patchouli and vetiver. The odor profile is tenacious despite its volatility, making it useful for creating depth in modern woody-oriental compositions.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to amplify the ink-like earthiness of vetiver, adding roasted depth to the fragrance’s dark, woody signature.
Contributes to the cannabis-adjacent herbal smokiness, enhancing the fragrance’s controversial edginess.
2D Molecular Structure
SMILES: CC(C)(C)C1=NC=CN=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
As a substituted pyrazine, this compound belongs to the heterocyclic nitrogen-containing class important in flavor and fragrance chemistry. The tert-butyl group at position 2 sterically influences the molecule’s odor characteristics. Pyrazines are typically synthesized through condensation reactions of α-diketones with diamines, though specific pathways for this derivative are proprietary in industry. The molecule’s compact structure contributes to both volatility and tenacity in fragrance applications.
Physical & Chemical Properties
| Appearance | Colorless to pale yellow liquid |
|---|---|
| Odor Threshold | Extremely low (ppb range) |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.1-0.5% | Up to 1% | Used as an accent note |
| Functional Fragrance | 0.01-0.1% | Trace | For sophisticated nuances |
Classic Accords
Tip: Use sparingly with ionones to create intriguing earthy-floral contrasts.
Alternatives & Comparisons
Offers similar roasted character but with more pronounced potato skin notes at higher concentrations.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently restricted by IFRA. Self-regulated by industry due to limited toxicological data.
RIFM Assessment
Under evaluation by RIFM as of 2023.
Sustainability
As a synthetic material, production is controlled in industrial settings with minimal environmental impact compared to natural extraction. Supply is consistent without agricultural variability. The synthesis route may involve petroleum-derived precursors, though newer green chemistry approaches are being explored.
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References
- Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press. ISBN 9781439847503
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 32741-11-0Physical Properties
| Molecular Weight | 136.19 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1.5🔬 PubChem |
| log Kp (skin permeability) | -2.466💻 Calculated |
| SMILES | CC(C)(C)C1=NC=CN=C1🔬 PubChem |
Odor & Flavor
| Primary Descriptors | balsamicwoody• leffingwell |
| Functional Groups | aromatic💻 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: DTXSID3047421
Physical Properties
| Molecular Weight | 136.198 g/mol🔬 EPA CompTox |
| Density | 0.975 g/cm^3📊 OPERA |
| Boiling Point | 181.911 °C📊 OPERA |
| Melting Point | 22.829 °C📊 OPERA |
| Flash Point | 69.26 °C📊 OPERA |
| Refractive Index | 1.484 Dimensionless📊 OPERA |
| Molar Volume | 142.569 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 1.705 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.705 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 1.705 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.43 Log10 unitless📊 OPERA |
| Water Solubility | 0.741 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.73 mmHg📊 OPERA |
| Viscosity | 2.856 cP📊 OPERA |
| Surface Tension | 33.179 dyn/cm📊 OPERA |
| Thermal Conductivity | 121.78 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 25.78 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 0 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 40.823 cm^3/mol📊 OPERA |
| Polarizability | 16.183 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.
