HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Methylhexan-2-ol
5-methylhexan-2-ol · 2-Hexanol, 5-methyl- · 2-METHYL-5-HEXANOL · 5-Methyl-2-hexanol · 5-Methylhexanol-(2) · 5-Methyl-2-hexanol>5-Methyl-2-hexanol,98% · (2S)-5-methyl-2-hexanol · METHYL ISOAMYL CARBINOL
Identifikatoren & physikalische Daten
| CAS No. | 627-59-8 |
|---|---|
| Summenformel | C7H16O |
| Durchschnittliche Molmasse | 116,2 g/mol |
| Monoisotopische Masse | 116,12011513 g/mol |
| SMILES | CC(C)CCC(C)O |
| InChIKey | ZDVJGWXFXGJSIU-UHFFFAOYSA-N |
| PubChem CID | 12323 |
| EC No. | 211-004-9 |
| DTXSID | DTXSID50870730 |
| Lokaler Name | 5-Methylhexan-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 50,3 |
| Solvents | Solvents -> Alcohols (<C12) |
| Physical Description | Clear colorless liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -30.45°C (estimate) |
| Siedepunkt | 148-150 °C (lit.) |
| Dichte | 0.819 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.417(lit.) |
| Flammpunkt | 115 °F |
| Lagerbedingungen | Flammables area |
| pKa (Säurekonstante) | 15.28±0.20(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| BRN | 1731619 |
| Henry-Konstante | 1.6×10-1 mol/(m3Pa) at 25℃, Wang et al. (2017) |
| InChI | 1S/C7H16O/c1-6(2)4-5-7(3)8/h6-8H,4-5H2,1-3H3 |
| InChIKey | ZDVJGWXFXGJSIU-UHFFFAOYSA-N |
| SMILES | CC(C)CCC(C)O |
| LogP (Verteilungskoeffizient) | 2.055 (est) |
| CAS Datenbank | 627-59-8(CAS DataBase Reference) |
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 45 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | 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 |
| Zollcode | 2905190098 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 16 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
5-Methyl-2-hexanol has been used as internal standard for rapid extraction of aroma compounds from grape brandies and aqueous-alcoholic wood extracts by ultrasound.