HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 79552Erstellt: 4. November 2026
2-Phenylethylheptanoat
Phenylethyl heptylate · PHENYLETHYL-HEPTANOATE · 2-Phenylethyl heptanoate · Phenylethyl n-heptanoate · Heptanoic acid phenethyl ester · enanthic acid 2-phenylethyl ester · Heptanoic acid, 2-phenylethyl ester
https://huagongshe.com/de/chemical/79552
Identifikatoren & physikalische Daten
| CAS No. | 5454-11-5 |
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| Summenformel | C15H22O2 |
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| Durchschnittliche Molmasse | 234,33 g/mol |
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| Monoisotopische Masse | 234,16197994 g/mol |
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| SMILES | CCCCCCC(=O)OCCc1ccccc1 |
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| InChIKey | YMPDQHXHLKFWNN-UHFFFAOYSA-N |
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| PubChem CID | 79552 |
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| EC No. | 226-701-3 |
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| DTXSID | DTXSID9063904 |
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| Lokaler Name | 2-Phenylethylheptanoat |
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Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
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| Polarare Oberfläche (TPSA) | 26,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 9 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 195 |
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| Geruch | at 100.00 %. floral rose apricot |
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| Geruchsart | floral |
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| LogP (Verteilungskoeffizient) | 4.846 (est) |
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| EPA chemische Informationen | 2-Phenylethyl heptanoate (5454-11-5) |
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Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
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| Regulatorische Informationen | Chemical: Heptanoic acid, 2-phenylethyl esterHeptanoic acid, 2-phenylethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - Heptanoic acid, 2-phenylethyl ester: Human health tier I assessment |
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| Hazard Classes and Categories | Not Classified |
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| TSCA-Inventar-Status | TSCA listed |
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