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2-(Tert-butoxy)ethan-1-ol
2-TERT-BUTOXYETHANOL · Ethylene Glycol Tertiary butyl ether · Mono-tert-butyL · 2-tert-butoxy-ethano · Ethanol,2-(1,1-dimethylethoxy)- · ETHYLENE GLYCOL MONO-T-BUTYL ETHER · swasolveetb · HO-CH2CH2O-t-Bu
Identifikatoren & physikalische Daten
| CAS No. | 7580-85-0 |
|---|---|
| Summenformel | C6H14O2 |
| Durchschnittliche Molmasse | 118,17 g/mol |
| Monoisotopische Masse | 118,09937969 g/mol |
| SMILES | CC(C)(C)OCCO |
| InChIKey | BDLXTDLGTWNUFM-UHFFFAOYSA-N |
| PubChem CID | 24232 |
| EC No. | 456-140-1 |
| DTXSID | DTXSID4073384 |
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 | 8 |
| Formalladung | 0 |
| Komplexität | 54 |
| Siedepunkt | 152 °C |
| Dichte | 0,9 g/cm3 |
| Brechungsindex | 1.4160 to 1.4190 |
| Flammpunkt | 55°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Completely miscible in water |
| Aggregatzustand | clear liquid |
| pKa (Säurekonstante) | 14.44±0.10(Predicted) |
| Farbe | Colorless to Almost colorless |
| InChI | InChI=1S/C6H14O2/c1-6(2,3)8-5-4-7/h7H,4-5H2,1-3H3 |
| InChIKey | BDLXTDLGTWNUFM-UHFFFAOYSA-N |
| SMILES | C(O)COC(C)(C)C |
| CAS Datenbank | 7580-85-0 |
| EPA chemische Informationen | Ethanol, 2-(1,1-dimethylethoxy)- (7580-85-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (71.4%): Flammable liquid and vapor [Warning Flammable liquids]H302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (42.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (42.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (42.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H373 (28.6%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 11-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/30055Status: Active Update: 14-02-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/8735 |
| Hazard Classes and Categories | Flam. Liq. 3 (71.4%)Acute Tox. 4 (28.6%)Skin Irrit. 2 (42.9%)Eye Irrit. 2A (42.9%)STOT SE 3 (42.9%)STOT RE 2 (28.6%)Flam. Liq. 3 (100%)Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Dam. 1 (100%)Acute Tox. 3 (100%)STOT SE 3 (100%)STOT RE 1 (100%)Flammable liquids - Category 3Specific target organ toxicity - Single exposure - Category 3 (Narcotic effects)Specific target organ toxicity - Repeated exposure - Category 1 (blood system) |
| UN-Transportnummer | 3271 |
| Zollcode | 2909498090 |
| RTECS-Nr. | KJ8750000 |
| R-Sätze (R) | 10-36/37/38 |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
2-(1,1-Dimethylethoxy)ethanol is used in the preparation of potent and selective NPY5 receptor antagonists. Also used in the synthesis of PDE5 inhibitors, used to block the degradative action of phosphodiesterase 5.