HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Ethylpyrazine
2-ETHYLPYRAZINE · Pyrazine, ethyl- · FEMA 3281 · ethyl-pyrazin · ETHYLPYRAZINE · FEMA NUMBER 3281 · ETHYLPYRAZINE, 2- · Ethylpyrazine,98%
Identifiers & Physical Properties
| CAS No. | 1392-50-3 |
|---|---|
| Molecular formula | C6H8N2 |
| Average molar mass | 108.14 g/mol |
| Monoisotopic mass | 108.06874826 g/mol |
| SMILES | CCc1cnccn1 |
| InChIKey | KVFIJIWMDBAGDP-UHFFFAOYSA-N |
| PubChem CID | 26331 |
| ChEMBL | CHEMBL97525 |
| ChEBI | CHEBI:73232 |
| EC No. | 237-691-5 |
| DTXSID | DTXSID2065676 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 25.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 2 |
| Rotatable bonds | 1 |
| Heavy atoms | 8 |
| Formal charge | 0 |
| Complexity | 63.5 |
| Chemical classes | Nitrogen Compounds -> Pyrazines |
| Fragrances | Fragrance Ingredient (2-Ethylpyrazine) -> IFRA transparency List |
| LogP (partition coefficient) | 0.690.79 |
| Food additives | FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Density | 0.981-1.0000.984 g/mL at 25 °C (lit.) |
| Flavoring agents | EU Flavoring substances |
| Solubility | soluble in water, organic solvents, oilsmiscible at room temperature (in ethanol)freely soluble |
| Boiling point | 152.00 to 153.00 °C. @ 760.00 mm Hg152 °C152-153 °C (lit.) |
| Vapor pressure | 1.67 [mmHg] |
| Refractive index | 1.493-1.508n20/D 1.498(lit.) |
| Physical Description | Colorless liquid[Alfa Aesar MSDS]colourless to pale yellow liquid with a musty, nutty, peanut butter odour |
| Melting point | 155 °C |
| FEMA | 3281 | 2-ETHYLPYRAZINE |
| FLAVIS Number | 14.022 | Ethylpyrazine |
| Flash point | 109 °F |
| Storage conditions | Sealed in dry,Room Temperature |
| Physical state | Liquid |
| pKa (acidity coefficient) | 1.62±0.10(Predicted) |
| Color | Colorless to Light yellow to Light orange |
| Specific gravity | 0.984 |
| Odor | at 1.00 % in dipropylene glycol. peanut butter musty nutty woody roasted cocoa |
| Odor type | nutty |
| Biological source | synthetic |
| JECFA Number | 762 |
| BRN | 108200 |
| Henry's law constant | 4.0×100 mol/(m3Pa) at 25℃, Buttery et al. (1971) |
| InChI | 1S/C6H8N2/c1-2-6-5-7-3-4-8-6/h3-5H,2H2,1H3 |
| InChIKey | KVFIJIWMDBAGDP-UHFFFAOYSA-N |
| SMILES | CCc1cnccn1 |
| LogP (partition coefficient) | 0.69 |
| CAS DataBase Reference | 13925-00-3(CAS DataBase Reference) |
| Substances Added to Food (formerly EAFUS) | 2-ETHYLPYRAZINE |
| EWG's Food Scores | 1 |
| FDA UNII | 0QO4LUV16Z |
| NIST Chemistry Reference | Pyrazine, ethyl-(13925-00-3) |
| EPA Substance Registry System | Pyrazine, ethyl- (13925-00-3) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
| GHS pictogram | GHS02,GHS07 |
| Signal word | Warning |
| GHS hazard statements | H226-H302 |
| GHS precautionary statements | P210-P233-P240-P241-P242-P301+P312 |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Hazard symbols | Xi,Xn |
| Risk statements (R) | 10-41-37/38-22 |
| Safety statements (S) | 16-39-26 |
| UN transport number | UN 1993 3/PG 3 |
| Water hazard class (WGK) | 3 |
| RTECS number | UQ3330000 |
| TSCA inventory status | TSCA listed |
| Hazard class | 3Acute Tox. 4 OralFlam. Liq. 3 |
| Packing group | III |
| Customs code | 29339990 |
| Storage class | 3 - Flammable liquids |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
Safety & Regulations
| GHS classification | WarningH226 (14.4%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1503 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | Chemical: Pyrazine, ethyl-Regulation (EC) No 1831/2003 (amended)2-Ethylpyrazine: Does not have an individual approval but may be used under an appropriate group standard |
| Hazards summary | Safe when used as a flavoring agent in food[JECFA] A skin and strong eye irritant[Alfa Aesar MSDS] |
| Hazard Classes and Categories | Flam. Liq. 3 (14.4%) |
| Personal protective equipment (PPE) | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter |
| Water hazard class (WGK) | 3 |
| TSCA inventory status | TSCA listed |
| RTECS number | UQ3330000 |
| UN transport number | UN 1993 3/PG 3 |
| Customs code | 29339990 |
| Risk statements (R) | 10-41-37/38-22 |
| Signal word | Warning |
| GHS pictogram | GHS02,GHS07 |
| Hazard symbols | Xi,Xn |
| Safety statements (S) | 16-39-26 |
| Hazard class | 3Acute Tox. 4 OralFlam. Liq. 3 |
| Storage class | 3 - Flammable liquids |
| Packing group | III |
| GHS hazard statements | H226-H302 |
| Limited quantities | 5.0 L (1.3 gallons) (liquid) |
| Excepted quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L) |
| GHS precautionary statements | P210-P233-P240-P241-P242-P301+P312 |
Applications & Uses
Occurrence
Reported found in bakery products, cocoa products, coffee, meat, peanuts, filberts, potato products, beer, whiskey, tea, soybeans, rice, roasted coconut, corn tortillas, shrimp, crayfish, asparagus, boiled beef, malt whiskey, and malt
Uses
Ethylpyrazine has been used in the synthesis of pyrazinoic acid.
Uses
Ethylpyrazine is a reagent used in the synthetic preparation of various pharmaceutical goods and has been screened for potential activities as H1-antihistamine.
General Description
2-Ethylpyrazine is a volatile aroma compound that is mainly formed in food products such as roasted coffee beans or roasted sesame seeds due to the Maillard reaction between sugars and proteins during the roasting process.
Preparation & Synthesis
Preparation
By alkylation of methylpyrazine with methyliodide.