HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-(Heptyloxy)phenol
AC 45594 · 4-(heptyloxy)- · HEPTYLOXYPHENOL · 4-heptoxyphenol · P-HEPTYLOXYPHENOL · 4-HEPTYLOXYPHENOL · p-(heptyloxy)-pheno · 4-N-HEPTYLOXYPHENOL
Identifikatoren & physikalische Daten
| CAS No. | 13037-86-0 |
|---|---|
| Summenformel | C13H20O2 |
| Durchschnittliche Molmasse | 208,3 g/mol |
| Monoisotopische Masse | 208,14632988 g/mol |
| SMILES | CCCCCCCOc1ccc(O)cc1 |
| InChIKey | HZBABTUFXQLADL-UHFFFAOYSA-N |
| PubChem CID | 25641 |
| ChEMBL | CHEMBL193558 |
| ChEBI | CHEBI:34406 |
| EC No. | 627-297-5 |
| DTXSID | DTXSID5022483 |
Chemische & physikalische Eigenschaften
| XLogP | 4,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 139 |
| Schmelzpunkt | 60-63 °C (lit.) |
| Siedepunkt | 307.5°C (rough estimate) |
| Dichte | 0.9962 (rough estimate) |
| Brechungsindex | 1.4860 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Soluble in DMSO > 10 mM |
| pKa (Säurekonstante) | 10.35±0.15(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Light orange |
| InChI | 1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3 |
| InChIKey | HZBABTUFXQLADL-UHFFFAOYSA-N |
| SMILES | CCCCCCCOc1ccc(O)cc1 |
| CAS Datenbank | 13037-86-0(CAS DataBase Reference) |
| EPA chemische Informationen | Phenol, 4-(heptyloxy)- (13037-86-0) |
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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2909.50.5000 |
| RTECS-Nr. | SL4860000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-(Heptyloxy)phenol was used to treat bovine luteal cells.