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2-Methylhexan-2-ol
2-methylhexan-2-ol · 2-methyl-2-hexanoI · Methyl-2 hexanol-2 · 2-Methyl-2-hexanol · 2-HEXANOL,2-METHYL- · Butyldimethylcarbinol · 2-Methyl-2-hexanol>2-Methyl-2-hexanol,97% · 2-Methyl-2-hexanol 97%
Identifikatoren & physikalische Daten
| CAS No. | 28929-86-4 |
|---|---|
| Summenformel | C7H16O |
| Durchschnittliche Molmasse | 116,2 g/mol |
| Monoisotopische Masse | 116,12011513 g/mol |
| SMILES | CCCCC(C)(C)O |
| InChIKey | KRIMXCDMVRMCTC-UHFFFAOYSA-N |
| PubChem CID | 12240 |
| EC No. | 210-881-5 |
| DTXSID | DTXSID30870713 |
| Lokaler Name | 2-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 | 57,4 |
| Solvents | Solvents -> Alcohols (<C12) |
| SpringerMaterials Properties | Boiling point |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | -30.45°C (estimate) |
| Siedepunkt | 141-142 °C (lit.) |
| Dichte | 0.812 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.417(lit.) |
| Flammpunkt | 105 °F |
| Lagerbedingungen | Flammables area |
| pKa (Säurekonstante) | 15.38±0.29(Predicted) |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow |
| Löslichkeit | 9.61g/L(25 ºC) |
| Henry-Konstante | 9.1×10-2 mol/(m3Pa) at 25℃, Wang et al. (2017) |
| InChI | 1S/C7H16O/c1-4-5-6-7(2,3)8/h8H,4-6H2,1-3H3 |
| InChIKey | KRIMXCDMVRMCTC-UHFFFAOYSA-N |
| SMILES | CCCCC(C)(C)O |
| LogP (Verteilungskoeffizient) | 2.113 (est) |
| CAS Datenbank | 625-23-0(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 40 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | May cause irritationTargets the CNS[Alfa Aesar MSDS] See 2-Methyl-3-hexanol. |
| 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 | 3.2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2-Methyl-2-hexanol was used in the preparation of esterified phenol. It is used to study the effect of organic solvent on the equillibrium of lipase-catalyzed esterification of glycerol and decanoic acid.