Pyrazine, 2-(n-propyl)-
2-n-propylpyrazine
CAS: 18138-03-9
Molecular Formula: C7H10N2
Pyrazine, 2-(n-propyl)- - Names and Identifiers
| Name | 2-n-propylpyrazine |
| Synonyms | 242-170-0 propylpyrazine propyl-pyrazin N-PROPYLPYRAZINE 2-PROPYLPYRAZINE FEMA NUMBER 3961 2-N-PROPYLPYRAZINE 2-n-propylpyrazine Pyrazine, 2-(n-propyl)- 1-(Trimethylsilyl)-1H-1,2,4-triazole 1H-1,2,4-Triazole, 1-(trimethylsilyl)- |
| CAS | 18138-03-9 |
| EINECS | 242-023-0 |
| InChI | InChI=1/C5H11N3Si/c1-9(2,3)8-5-6-4-7-8/h4-5H,1-3H3 |
Pyrazine, 2-(n-propyl)- - Physico-chemical Properties
| Molecular Formula | C7H10N2 |
| Molar Mass | 122.17 |
| Density | 0.975 |
| Boling Point | 65 °C (12 mmHg) |
| Flash Point | 56 °C |
| JECFA Number | 763 |
| Vapor Presure | 68.9mmHg at 25°C |
| Appearance | Transparent very pale yellow liquid |
| Specific Gravity | 0.9700 |
| Color | Colorless to Light yellow |
| pKa | 1.70±0.10(Predicted) |
| Storage Condition | Sealed in dry,Room Temperature |
| Refractive Index | 1.492-1.494 |
| MDL | MFCD00049214 |
Pyrazine, 2-(n-propyl)- - Risk and Safety
| Hazard Symbols | Xi - Irritant |
| Risk Codes | R37/38 - Irritating to respiratory system and skin. R41 - Risk of serious damage to eyes R36/37/38 - Irritating to eyes, respiratory system and skin. |
| Safety Description | S24/25 - Avoid contact with skin and eyes. S39 - Wear eye / face protection. S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | UN 1993C 3 / PGIII |
| WGK Germany | 3 |
| HS Code | 29339900 |
| Hazard Class | IRRITANT |
Pyrazine, 2-(n-propyl)- - Reference Information
| FEMA | 3961 | PROPYLPYRAZINE |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| application | 2-propylpyrazine is an organic synthesis intermediate and a pharmaceutical intermediate, which can be used in laboratory research and development processes and chemical production processes. |
| preparation | 8.0mL 2-chlorpyrazine, 1.58g iron acetylacetonate and 100mL THF (tetrahydrofuran) were added to the stirred round bottom flask. Stir it under nitrogen to get a red solution. Cool the flask in an ice water bath for ten minutes. Then start adding 49mL of n-propyl magnesium chloride to the flask to obtain a dark purple solution. After 1.5 hours, 10mL of n-propyl magnesium chloride is added within 10 minutes. After another 20 minutes, add another 5mL of n-propyl magnesium chloride, stir for about 30 minutes, and add 22mL of saturated NH4Cl aqueous solution within 7 minutes. After adding an additional 7 mLNH4Cl, the stirring was stopped and the mixture was left to stand overnight under nitrogen at room temperature. After adding 125mLEtOAc and 450mL of water, the contents of the flask were filtered through polypropylene and poured into a separatory funnel, the phases were separated, and the aqueous phase was extracted twice with 125mL of EtOAc. The combined organic phase was filtered by diatomite and then concentrated by rotary evaporation (200mbar,40°C). After short-range distillation, the distillate was passed through a Vigreux column (200mbar,90-110°C) to obtain 9.0g(82.4% yield) of 2-propylpyrazine. |
| toxicity | GRAS(FEMA). |
| usage limit | FEMA(mg/kg): baked goods, fast food, 1~2; Beverage, cold drink, gel, pudding, alcoholic beverage, soft candy 0.5~1. |
Last Update：2024-04-09 19:05:10
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