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Heptan-4-ol
heptan-4-ol · Heptanol-4 · 4-Heptanol · Heptane-4-ol · n-Heptan-4-ol · 4-Heptanol>4-HEPTANOL 97% · 4-Heptanol,93% · 4-Heptanol,99%
Identifikatoren & physikalische Daten
| CAS No. | 589-55-9 |
|---|---|
| Summenformel | C7H16O |
| Durchschnittliche Molmasse | 116,2 g/mol |
| Monoisotopische Masse | 116,12011513 g/mol |
| SMILES | CCCC(O)CCC |
| InChIKey | YVBCULSIZWMTFY-UHFFFAOYSA-N |
| PubChem CID | 11513 |
| ChEBI | CHEBI:165516 |
| EC No. | 209-651-7 |
| DTXSID | DTXSID1060429 |
| Lokaler Name | Heptan-4-ol |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 37,7 |
| Lipide | Fatty Acyls [FA] -> Fatty alcohols [FA05] |
| Solvents | Solvents -> Alcohols (<C12) |
| SpringerMaterials Properties | Boiling point |
| LogP (Verteilungskoeffizient) | 2.22 |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Schmelzpunkt | -41.5 °C |
| Siedepunkt | 156 °C |
| Dichte | 0.81 |
| Brechungsindex | 1.4175-1.4215 |
| Flammpunkt | 48 °C |
| Lagerbedingungen | Flammables area |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | 15.31±0.20(Predicted) |
| Farbe | Clear colorless to pale yellow |
| Geruch | at 100.00%. alcoholic |
| Löslichkeit | 4.753g/L(20 ºC) |
| Henry-Konstante | 3.4×10-1 mol/(m3Pa) at 25℃, Plyasunov and Shock (2000) |
| Dielektrizitätskonstante | 6.2(22℃) |
| Stabilität | Stable. Flammable. Incompatible with oxidizing agents. |
| LogP (Verteilungskoeffizient) | 2.220 |
| CAS Datenbank | 589-55-9(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Heptanol (589-55-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P264+P265, P280, P303+P361+P353, P305+P351+P338, P337+P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 4-Heptanol: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | An eye irritant[Alfa Aesar MSDS] |
| Peroxide Forming Chemical | 4-HeptanolB: Compounds that form peroxides on concentration (distillation/evaporation)1 samples, 30 ppm Peroxide>1 yrKelly |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1987 3/PG III |
| Zollcode | 29051900 |
| R-Sätze (R) | 36-10 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 39-26-16 |
| Gefahrenklasse | 3 |
| Verpackungsgruppe | III |
Anwendungen & Verwendung
Verwenden
4-heptanol has been suggested for use in perfume compositions to support floral notes, mainly with Terpineol and other low-cost ingredients for masking odors and industrial fragrances.