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2-Isobutylpyridine
FEMA 3370 · Pyridine, 2-(2-methylpropyl)- · FEMA NUMBER 3370 · 2-ISOBUTYLPYRIDINE · 2-(2-METHYLPROPYL) PYRIDINE
Identifikatoren & physikalische Daten
| CAS No. | 6304-24-1 |
|---|---|
| Summenformel | C9H13N |
| Durchschnittliche Molmasse | 135,21 g/mol |
| Monoisotopische Masse | 135,10479942 g/mol |
| SMILES | CC(C)Cc1ccccn1 |
| InChIKey | BBVSPSDWPYWMOR-UHFFFAOYSA-N |
| PubChem CID | 61385 |
| ChEBI | CHEBI:173364 |
| EC No. | 228-606-2 |
| DTXSID | DTXSID80212326 |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 12,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 88,7 |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.894-0.9000.899 |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | Insoluble in waterSoluble (in ethanol) |
| Siedepunkt | 110.00 to 111.00 °C. @ 55.00 mm Hg181 °C180-185 °C |
| Brechungsindex | 1.480-1.486 |
| Physical Description | Colourless to yellow liquidSharp aroma |
| FEMA | 3370 | 2-(2-METHYLPROPYL)PYRIDINE |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 5.83±0.19(Predicted) |
| Geruch | at 0.10 % in dipropylene glycol. strong aromatic bell pepper |
| Geruchsart | aromatic |
| JECFA Number | 1311 |
| LogP (Verteilungskoeffizient) | 2.60 |
| CAS Datenbank | 6304-24-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (93.8%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 96 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Pyridine, 2-(2-methylpropyl)-Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Pyridine, 2-(2-methylpropyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (93.8%) |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36/37/39 |
Anwendungen & Verwendung
Beschreibung
May be prepared from 2-pycolyllithium and isopropyl bromide; from 2-methyl pyridine and isopropyl bromide in liquid ammonia in the presence of potassium metal and ferric nitrate.
Herstellung & Synthese
synthetische
From β-picoline with NaNH2 and alkyl chloride or bromide.