HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Octylbenzoat
NSC 21846 · Dena PF 681 · octyl benzoate · 1-Octyl Benzoate · n-Octyl benzoate · Octyl alcohol, benzoate · Benzoic acid, octyl ester · Benzoic acid 1-Octanyl Ester
Identifikatoren & physikalische Daten
| CAS No. | 94-50-8 |
|---|---|
| Summenformel | C15H22O2 |
| Durchschnittliche Molmasse | 234,33 g/mol |
| Monoisotopische Masse | 234,16197994 g/mol |
| SMILES | CCCCCCCCOC(=O)c1ccccc1 |
| InChIKey | VECVSKFWRQYTAL-UHFFFAOYSA-N |
| PubChem CID | 66751 |
| ChEMBL | CHEMBL118062 |
| ChEBI | CHEBI:156236 |
| EC No. | 202-339-1 |
| DTXSID | DTXSID1059103 |
| Lokaler Name | Octylbenzoat |
Chemische & physikalische Eigenschaften
| XLogP | 5,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 195 |
| Kovats Retention Index | 17571756176617721778.7917641755175817621774177717451792.232258224922662284228722702298230022732304 |
| Siedepunkt | 182-183 °C(Press: 21 Torr) |
| Dichte | 0.9614 g/cm3 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Insoluble in water, soluble in alcohol and oils. |
| Aggregatzustand | Colourless or very pale straw-coloured, slightly viscous liquid. |
| Geruch | at 100.00 %. fruity balsam |
| Geruchsart | balsamic |
| LogP (Verteilungskoeffizient) | 5.691 (est) |
| NIST chemische Informationen | Benzoic acid, octyl ester(94-50-8) |
| EPA chemische Informationen | Benzoic acid, octyl ester (94-50-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
Octyl Benzoate is used as a fragrance agent.