HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Methylpentan-3-ol
2-methyl-3-pentano · 2-Methylpentan-3-ol · 3-Pentanol, 2-methyl- · 3-Hydroxy-isohexane · 4-Methyl-3-pentanol · 1-isopropyl-propano · 2-METHYL-3-PENTANOL · 1-isopropyl-propanol
Identifikatoren & physikalische Daten
| CAS No. | 565-67-3 |
|---|---|
| Summenformel | C6H14O |
| Durchschnittliche Molmasse | 102,17 g/mol |
| Monoisotopische Masse | 102,10446507 g/mol |
| SMILES | CCC(O)C(C)C |
| InChIKey | ISTJMQSHILQAEC-UHFFFAOYSA-N |
| PubChem CID | 11264 |
| EC No. | 209-286-3 |
| DTXSID | DTXSID70870616 |
| Lokaler Name | 2-Methylpentan-3-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 41,4 |
| Solvents | Solvents -> Alcohols (<C12) |
| SpringerMaterials Properties | Boiling point |
| Dampfdruck | 5.38 [mmHg] |
| Physical Description | Clear colorless liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -48.42°C (estimate) |
| Siedepunkt | 128 °C(lit.) |
| Dichte | 0.819 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.417(lit.) |
| Flammpunkt | 115 °F |
| Aggregatzustand | liquid |
| pKa (Säurekonstante) | 15.17±0.20(Predicted) |
| Löslichkeit | Amalgamate with ethanol, ethyl ether, benzene. Insoluble in water |
| BRN | 1718952 |
| Henry-Konstante | 2.9×10-1 mol/(m3Pa) at 25℃, Hine and Mookerjee (1975) |
| InChI | 1S/C6H14O/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3 |
| InChIKey | ISTJMQSHILQAEC-UHFFFAOYSA-N |
| SMILES | CCC(O)C(C)C |
| LogP (Verteilungskoeffizient) | 1.546 (est) |
| CAS Datenbank | 565-67-3(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Methyl-3-pentanol (565-67-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): 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 43 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | Intravenous LD50 (mouse) = 320 mg/kg[RTECS] May cause irritation[Sigma-Aldrich MSDS] |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1987 3/PG 3 |
| RTECS-Nr. | SA7400000 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 23-24/25 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-Methyl-3-pentanol (Ethyl isopropyl carbinol) was used as a volatile marker.