HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Heptylvalerat
Heptyl pentanoate · pentanoicacid,heptylester · 39840N · ENT 30517 · HEPTYL-VALERATE · pentanoicacidheptylester · Valeric acid, heptyl ester
Identifikatoren & physikalische Daten
| CAS No. | 5451-80-9 |
|---|---|
| Summenformel | C12H24O2 |
| Durchschnittliche Molmasse | 200,32 g/mol |
| Monoisotopische Masse | 200,17763 g/mol |
| SMILES | CCCCCCCOC(=O)CCCC |
| InChIKey | YJARPRLGQQFGOI-UHFFFAOYSA-N |
| PubChem CID | 79544 |
| EC No. | 226-686-3 |
| DTXSID | DTXSID2063898 |
| Lokaler Name | Heptylvalerat |
Chemische & physikalische Eigenschaften
| XLogP | 4,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 132 |
| SpringerMaterials Properties | Density |
| Schmelzpunkt | -46.4°C |
| Siedepunkt | 245.45°C |
| Dichte | 0.8623 |
| Brechungsindex | 1.4254 |
| Geruch | at 100.00 %. fruity |
| Geruchsart | fruity |
| LogP (Verteilungskoeffizient) | 4.861 (est) |
| EPA chemische Informationen | Heptyl valerate (5451-80-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
|---|---|
| Regulatorische Informationen | Chemical: Pentanoic acid, heptyl esterPentanoic acid, heptyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Pentanoic acid, heptyl ester: Human health tier I assessment |
| Hazard Classes and Categories | Not Classified |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
Heptyl valerate has been suggested for use in perfume compositions where Civet-notes are applied, or in making artificial Civet, etc. It will also give useful effects in Men's fragrances of Leather or "Tabac"type.