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Nonan-1,9-diol
nonane-1,9-diol · Nonan-1,9-diol · NSC 5416 · 9-Nonanediol · None-1,9-diol · 1,9-NONANEDIOL · α,ω-nonanediol · 1,9-Nonanediol>1,9-Nonanediol,99%
Identifikatoren & physikalische Daten
| CAS No. | 3937-56-2 |
|---|---|
| Summenformel | C9H20O2 |
| Durchschnittliche Molmasse | 160,25 g/mol |
| Monoisotopische Masse | 160,14632988 g/mol |
| SMILES | OCCCCCCCCCO |
| InChIKey | ALVZNPYWJMLXKV-UHFFFAOYSA-N |
| PubChem CID | 19835 |
| ChEBI | CHEBI:167089 |
| EC No. | 223-517-5 |
| DTXSID | DTXSID5063237 |
| Lokaler Name | Nonan-1,9-diol |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 8 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 56,6 |
| SpringerMaterials Properties | Fusion temperature |
| Schmelzpunkt | 45-47 °C (lit.) |
| Siedepunkt | 177 °C/15 mmHg (lit.) |
| Dichte | 0.918 |
| Dampfdruck | 0.004Pa at 20℃ |
| Brechungsindex | 1.4571 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in methanol.5.7g/L at 20℃ |
| pKa (Säurekonstante) | 14.89±0.10(Predicted) |
| Aggregatzustand | Fused Crystalline Solid |
| Farbe | White |
| BRN | 1737531 |
| InChI | 1S/C9H20O2/c10-8-6-4-2-1-3-5-7-9-11/h10-11H,1-9H2 |
| InChIKey | ALVZNPYWJMLXKV-UHFFFAOYSA-N |
| SMILES | OCCCCCCCCCO |
| LogP (Verteilungskoeffizient) | 1.69 at 20.8℃ |
| CAS Datenbank | 3937-56-2(CAS DataBase Reference) |
| NIST chemische Informationen | 1,9-Nonanediol(3937-56-2) |
| EPA chemische Informationen | 1,9-Nonanediol (3937-56-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 16.7% (2 of 12) of reports.WarningH315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, 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 12 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 25-11-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/247371,9-Nonanediol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (25%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29053990 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Chronic 3 |
Anwendungen & Verwendung
Verwenden
1,9-Nonanediol is used in organic synthesis. It also can react with 3,4-dihydro-2H-pyran and 9-(tetrahydropyrane-2-yloxy)nonan-1-ol.