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2-(Allyloxy)ethanol
ALLYL GLYCOL · allylcellosolve · ETHYLENE GLYCOL MONOALLYL ETHER · EGMAE · Allyl Cellosolve · usafdo-47 · USAF do-47 · oxyethanoL
Identifikatoren & physikalische Daten
| CAS No. | 111-45-5 |
|---|---|
| Summenformel | C5H10O2 |
| Durchschnittliche Molmasse | 102,13 g/mol |
| Monoisotopische Masse | 102,06807956 g/mol |
| SMILES | C=CCOCCO |
| InChIKey | GCYHRYNSUGLLMA-UHFFFAOYSA-N |
| PubChem CID | 8116 |
| EC No. | 203-871-7 |
| DTXSID | DTXSID0059401 |
| Lokaler Name | 2-(Allyloxy)ethanol |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 43,3 |
| SpringerMaterials Properties | Optical coefficient |
| Siedepunkt | 159 °C(lit.) |
| Dichte | 0.955 g/mL at 25 °C(lit.) |
| Dampfdruck | 1.842hPa at 25℃ |
| Brechungsindex | n20/D 1.436(lit.) |
| Flammpunkt | 150 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Completely miscible in water454g/L at 25℃ |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 14.50±0.10(Predicted) |
| Wichte | 0.955 |
| Farbe | Colorless to Almost colorless |
| Geruch | mild mushroom |
| InChI | 1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2 |
| InChIKey | GCYHRYNSUGLLMA-UHFFFAOYSA-N |
| SMILES | C=CCOCCO |
| LogP (Verteilungskoeffizient) | -0.12 at 20℃ |
| CAS Datenbank | 111-45-5(CAS DataBase Reference) |
| NIST chemische Informationen | Ethanol, 2-(2-propenyloxy)-(111-45-5) |
| EPA chemische Informationen | Ethanol, 2-(2-propenyloxy)- (111-45-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (99.2%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 127 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
|---|---|
| Regulatorische Informationen | Status: Active Update: 08-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/30749 |
| Hazard Classes and Categories | Skin Irrit. 2 (99.2%)Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 29094990 |
| RTECS-Nr. | KJ5425000 |
| R-Sätze (R) | 38-41-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-39-45-36/37/39 |
| Gefahrenklasse | 3Eye Dam. 1Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Herstellung & Synthese
synthetische
2-allyloxyethanol is produced from Allyl alcohol and Ethylene under pressure and in the presence of a catalyst.