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2,2,4-Trimethylpentan-1-ol
2,2,4-Trimethylpentanol · 2,2,4-trimethyl-1-pentano · 2,2,4-TRIMETHYL-1-PENTANOL · 2,2,4-TRIMETHYLPENTAN-1-OL · 2,2,4-Trimethylpentane-1-ol · 1-Pentanol, 2,2,4-trimethyl-
Identifikatoren & physikalische Daten
| CAS No. | 123-44-4 |
|---|---|
| Summenformel | C8H18O |
| Durchschnittliche Molmasse | 130,23 g/mol |
| Monoisotopische Masse | 130,1357652 g/mol |
| SMILES | CC(C)CC(C)(C)CO |
| InChIKey | CWPPDTVYIJETDF-UHFFFAOYSA-N |
| PubChem CID | 31258 |
| EC No. | 204-628-8 |
| DTXSID | DTXSID6073158 |
| Lokaler Name | 2,2,4-Trimethylpentan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 74,6 |
| Solvents | Solvents -> Alcohols (<C12) |
| SpringerMaterials Properties | Boiling point |
| Dampfdruck | 0.49 [mmHg] |
| Physical Description | Liquid[Aldrich MSDS] |
| Schmelzpunkt | -70°C |
| Siedepunkt | 165°C |
| Dichte | 0.8340 |
| Brechungsindex | 1.4280 |
| pKa (Säurekonstante) | 15.17±0.10(Predicted) |
| Henry-Konstante | 5.6×10-1 mol/(m3Pa) at 25℃, Yaws et al. (1997) |
| LogP (Verteilungskoeffizient) | 2.466 (est) |
| EPA chemische Informationen | 1-Pentanol, 2,2,4-trimethyl- (123-44-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Gefahrenübersicht | A moderate skin and eye irritantCauses somnolence in dermal lethal-dose studies of rabbitsCauses ptosis, somnolence, and ataxia in oral lethal-dose studies of rats[RTECS] An irritantMay cause allergic reactions in sensitive individualsHarmful by ingestion[Aldrich MSDS] See 1-Pentanol. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
2,2,4-Trimethyl-1-pentanol is an aliphatic alcohol producing a fruity odor and used in the food industry as an additive.