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Tetrahydro-4H-pyran-4-ol
TETRAHYDRO-2H-PYRAN-4-OL · Tetrahydropyran-4-ol · Oxan-4-ol · TETRAHYDRO-4H-PYRAN-4-OL · POH · Tetrahydropyranol · 4-HYDROXYTETRAHYDROPYRAN · 2H-Pyran-4-ol
Identifikatoren & physikalische Daten
| CAS No. | 2081-44-9 |
|---|---|
| Summenformel | C5H10O2 |
| Durchschnittliche Molmasse | 102,13 g/mol |
| Monoisotopische Masse | 102,06807956 g/mol |
| SMILES | OC1CCOCC1 |
| InChIKey | LMYJGUNNJIDROI-UHFFFAOYSA-N |
| PubChem CID | 74956 |
| EC No. | 218-210-8 |
| DTXSID | DTXSID90174921 |
| Lokaler Name | Tetrahydro-4H-pyran-4-ol |
Chemische & physikalische Eigenschaften
| XLogP | -0,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 48 |
| Siedepunkt | 87 °C/15 mmHg (lit.) |
| Dichte | 1.071 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.462(lit.) |
| Flammpunkt | 190 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Methanol |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 14.61±0.20(Predicted) |
| Farbe | Clear Colourless |
| BRN | 102736 |
| InChI | InChI=1S/C5H10O2/c6-5-1-3-7-4-2-5/h5-6H,1-4H2 |
| InChIKey | LMYJGUNNJIDROI-UHFFFAOYSA-N |
| SMILES | C1OCCC(O)C1 |
| LogP (Verteilungskoeffizient) | -0.440 (est) |
| CAS Datenbank | 2081-44-9(CAS DataBase Reference) |
| NIST chemische Informationen | Tetrahydro-4H-pyran-4-ol(2081-44-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (10.2%): 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 21-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21179 |
| Hazard Classes and Categories | Skin Irrit. 2 (10.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 1993 |
| Zollcode | 29329990 |
| R-Sätze (R) | 41-36/37/38-20/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-39-36/37/39-23 |
| Gefahrenklasse | IRRITANTEye Dam. 1 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Tetrahydro-4-pyranol is a building block of various organic compounds and pharmaceuticals.