HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Ethyloxetan-3-methanol
(3-Ethyloxetan-3-yl)Methanol · 3-ETHYL-3-HYDROXYMETHYLOXETANE · 3-ethyl · EOXA · 3-ethyloxetane-3-methanol · EOX · EHMO · OXA (oxet
Identifikatoren & physikalische Daten
| CAS No. | 3047-32-3 |
|---|---|
| Summenformel | C6H12O2 |
| Durchschnittliche Molmasse | 116,16 g/mol |
| Monoisotopische Masse | 116,08372962 g/mol |
| SMILES | CCC1(CO)COC1 |
| InChIKey | UNMJLQGKEDTEKJ-UHFFFAOYSA-N |
| PubChem CID | 76444 |
| EC No. | 221-254-0 |
| DTXSID | DTXSID8062812 |
| Lokaler Name | 3-Ethyloxetan-3-methanol |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 76,6 |
| Physical Description | LiquidCBI |
| Siedepunkt | 96 °C/4 mmHg (lit.) |
| Dichte | 1.019 g/mL at 25 °C (lit.) |
| Dampfdruck | 3.1Pa at 25℃ |
| Brechungsindex | n20/D 1.453(lit.) |
| Flammpunkt | 227 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 14.58±0.10(Predicted) |
| Farbe | Clear colorless |
| Löslichkeit | Miscible in water. |
| InChI | InChI=1S/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3 |
| InChIKey | UNMJLQGKEDTEKJ-UHFFFAOYSA-N |
| SMILES | O1CC(CC)(CO)C1 |
| LogP (Verteilungskoeffizient) | 0.6 at 25℃ |
| CAS Datenbank | 3047-32-3(CAS DataBase Reference) |
| EPA chemische Informationen | 3-Oxetanemethanol, 3-ethyl- (3047-32-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (54.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 329 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 3-Oxetanemethanol, 3-ethyl-3-Oxetanemethanol, 3-ethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 3-Oxetanemethanol, 3-ethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/113363-ethyl-3-hydroxymethyloxetane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Skin Sens. 1 (54.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29329990 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 37/39-26-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Ethyl-3-oxetanemethanol is used as pharmaceutical intermediate.