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2,3-Dimethylbutan-2-ol
2-Butanol,2,3-dimethyl- · DESOXYPINAKONE · Thexyl alcohol · (CH3)2CHC(OH)(CH3)2 · 2,3-dimethyl-2-butano · 2,3-Dimethyl-2-butanol · 2,3-dimethyl-butan-2-ol · Isopropyldimethylcarbinol
Identifikatoren & physikalische Daten
| CAS No. | 594-60-5 |
|---|---|
| Summenformel | C6H14O |
| Durchschnittliche Molmasse | 102,17 g/mol |
| Monoisotopische Masse | 102,10446507 g/mol |
| SMILES | CC(C)C(C)(C)O |
| InChIKey | IKECULIHBUCAKR-UHFFFAOYSA-N |
| PubChem CID | 11670 |
| EC No. | 209-847-2 |
| DTXSID | DTXSID60208126 |
| Lokaler Name | 2,3-Dimethylbutan-2-ol |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 55,2 |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 1.48 |
| Schmelzpunkt | -14 °C (lit.) |
| Siedepunkt | 120-121 °C (lit.) |
| Dichte | 0.823 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.417(lit.) |
| Flammpunkt | 85 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 15.24±0.29(Predicted) |
| Farbe | Clear colorless |
| Löslichkeit | 40.12g/L(25 ºC) |
| Henry-Konstante | 3.8×10-1 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000) |
| InChI | 1S/C6H14O/c1-5(2)6(3,4)7/h5,7H,1-4H3 |
| InChIKey | IKECULIHBUCAKR-UHFFFAOYSA-N |
| SMILES | CC(C)C(C)(C)O |
| LogP (Verteilungskoeffizient) | 1.447 (est) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (69%): Highly Flammable liquid and vapor [Danger 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 129 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Butanol, 2,3-dimethyl- |
| Hazard Classes and Categories | Flam. Liq. 2 (69%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 1987 3/PG 3 |
| Zollcode | 29051900 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 16-29-33 |
| Gefahrenklasse | 3.2Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
2,3-Dimethyl-2-butanol was used to study the absolute rate co-efficient of the reaction of hydroxyl radical with 2,3-dimethyl-2-butanol.