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3-Methoxybutan-1-ol
Methoxy-1-buta · Methoxybutanol · UNII:SJ995B41AO · 3-Methoxybutanol · 3-methoxy-1-butano · 3-methoxybutan-1-ol · 3-METHOXY-1-BUTANOL · 3-METHOXY-N-BUTANOL
Identifikatoren & physikalische Daten
| CAS No. | 2517-43-3 |
|---|---|
| Summenformel | C5H12O2 |
| Durchschnittliche Molmasse | 104,15 g/mol |
| Monoisotopische Masse | 104,08372962 g/mol |
| SMILES | COC(C)CCO |
| InChIKey | JSGVZVOGOQILFM-UHFFFAOYSA-N |
| PubChem CID | 17291 |
| ChEMBL | CHEMBL3186019 |
| ChEBI | CHEBI:189086 |
| EC No. | 219-741-8 |
| DTXSID | DTXSID0044812 |
| Lokaler Name | 3-Methoxybutan-1-ol |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 37,1 |
| SpringerMaterials Properties | Optical coefficient |
| Schmelzpunkt | -85 °C |
| Siedepunkt | 161 °C |
| Dichte | 0.928 g/mL at 25 °C(lit.) |
| Dampfdruck | 17-460Pa at 20-50℃ |
| Brechungsindex | n20/D 1.416(lit.) |
| Flammpunkt | 116 °F |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 14.90±0.10(Predicted) |
| Farbe | Clear colorless |
| Löslichkeit | SOLUBLE |
| Kosmetik-Inhaltsstoffe Funktionen | SOLVENT |
| InChI | 1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3 |
| InChIKey | JSGVZVOGOQILFM-UHFFFAOYSA-N |
| SMILES | COC(C)CCO |
| LogP (Verteilungskoeffizient) | 0.002 at 25℃ and pH7 |
| CAS Datenbank | 2517-43-3(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Butanol-3-methoxy-(2517-43-3) |
| EPA chemische Informationen | 1-Butanol, 3-methoxy- (2517-43-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 26.6% (155 of 583) of reports.WarningH226 (73.4%): 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 583 reports by companies from 3 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: 1-Butanol, 3-methoxy-1-Butanol, 3-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 3-methoxy- 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: 13-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/51551-Butanol, 3-methoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Flam. Liq. 3 (73.4%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1987 3/PG 3 |
| Zollcode | 29094980 |
| R-Sätze (R) | 10 |
| Sicherheitshinweise (S) | 16 |
| Gefahrenklasse | 3.2 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Methoxy-1-butanol can be used as: A solvent in the synthesis of potassium 3-methoxy-1-butylxanthate, an intermediate used in the preparation of xanthate complexes. A model compound in the study of dehydration of alcohols using CeO2as a catalyst. An intermediate to synthesize perylene diimide-based dyes applicable as the colorant of the black matrix.