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Tetrahydropyran-2-ylmethanol
2H-Pyran-2-methanol, tetrahydro- · (TETRAHYDRO-2H-PYRAN-2-YL)METHANOL · WLN: T6OTJ B1Q · UNII:JR71SUM5E9 · TIMTEC-BB SBB008943 · [(2R)-2-oxanyl]methanol · OXACYCLOHEXYL-2-METHANOL · 2-methanoltetrahydropyran
Identifikatoren & physikalische Daten
| CAS No. | 100-72-1 |
|---|---|
| Summenformel | C6H12O2 |
| Durchschnittliche Molmasse | 116,16 g/mol |
| Monoisotopische Masse | 116,08372962 g/mol |
| SMILES | OCC1CCCCO1 |
| InChIKey | ROTONRWJLXYJBD-UHFFFAOYSA-N |
| PubChem CID | 7524 |
| ChEBI | CHEBI:228990 |
| EC No. | 202-882-4 |
| DTXSID | DTXSID40870441 |
| Lokaler Name | Tetrahydropyran-2-ylmethanol |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 63,5 |
| Polymers | Other Classes -> Alcohols and Polyols, Other |
| Dampfdruck | 0.1 [mmHg]0.4 mm Hg ( 20 °C) |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | 187°C |
| Siedepunkt | 187 °C (lit.) |
| Dichte | 1.027 g/mL at 25 °C (lit.) |
| Dampfdichte | 4.02 (vs air) |
| Brechungsindex | n20/D 1.458(lit.) |
| Flammpunkt | 200 °F |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform (Sparingly), Methanol (Slightly) |
| pKa (Säurekonstante) | 14.48±0.10(Predicted) |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| BRN | 102998 |
| Henry-Konstante | 6.5×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| InChI | 1S/C6H12O2/c7-5-6-3-1-2-4-8-6/h6-7H,1-5H2 |
| InChIKey | ROTONRWJLXYJBD-UHFFFAOYSA-N |
| SMILES | OCC1CCCCO1 |
| LogP (Verteilungskoeffizient) | 0.160 (est) |
| CAS Datenbank | 100-72-1(CAS DataBase Reference) |
| NIST chemische Informationen | Tetrahydropyran-2-methanol(100-72-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 47 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 2H-Pyran-2-methanol, tetrahydro-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | A mild-to-severe skin and severe eye irritantDermal LD50 (rabbit) = 4 mL/kg[RTECS] A skin and strong eye irritant[Alfa Aesar MSDS] See Tetrahydropyran. |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| Zollcode | 29329990 |
| RTECS-Nr. | UQ0175000 |
| R-Sätze (R) | 36/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36-24/25 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2 |
Anwendungen & Verwendung
Verwenden
Chemical intermediate.