HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Ethyl-4-methylpentan-1-ol
1-Pentanol, 2-ethyl-4-methyl- · ETHYLISOPENTYLCARBINOL · 2-Ethyl-4-methyl-1-pentanol 2
Identifikatoren & physikalische Daten
| CAS No. | 106-67-2 |
|---|---|
| Summenformel | C8H18O |
| Durchschnittliche Molmasse | 130,23 g/mol |
| Monoisotopische Masse | 130,13576519 g/mol |
| SMILES | CCC(CO)CC(C)C |
| InChIKey | QCHSJPKDWOFACC-UHFFFAOYSA-N |
| PubChem CID | 7821 |
| ChEBI | CHEBI:89186 |
| EC No. | 203-422-5 |
| DTXSID | DTXSID90861723 |
| Lokaler Name | 2-Ethyl-4-methylpentan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 59,6 |
| Schmelzpunkt | -61.15°C (estimate) |
| Siedepunkt | 176.5°C |
| Dichte | 0.8260 |
| Brechungsindex | 1.4270 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Soluble), Methanol (Soluble) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 15.05±0.10(Predicted) |
| Farbe | Colourless |
| Henry-Konstante | 4.4×10-1 mol/(m3Pa) at 25℃, Yaws et al. (1997) |
| InChI | InChI=1S/C8H18O/c1-4-8(6-9)5-7(2)3/h7-9H,4-6H2,1-3H3 |
| InChIKey | QCHSJPKDWOFACC-UHFFFAOYSA-N |
| SMILES | C(O)C(CC)CC(C)C |
| LogP (Verteilungskoeffizient) | 1.812 (est) |
| EPA chemische Informationen | 1-Pentanol, 2-ethyl-4-methyl- (106-67-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| TSCA-Inventar-Status | TSCA listed |
| Toxizität | mouse,LD50,oral,1600mg/kg (1600mg/kg),Kodak Company Reports. Vol. 21MAY1971, |
Anwendungen & Verwendung
Verwenden
2-Ethyl-4-methyl-1-pentanol is a volatile chemical that can be used to diagnose ratoon stunting disease in Sugar cane.