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Pentylheptanoat
FEMA 2073 · AMYL HEPTOATE · Amyl heptanote · AMyl Enanthate · AMYL HEPTANOATE · pentyl heptanoate · N-AMYL-HEPTANOATE · AMYL-HEPTANOATEFCC
Identifikatoren & physikalische Daten
| CAS No. | 7493-82-5 |
|---|---|
| Summenformel | C12H24O2 |
| Durchschnittliche Molmasse | 200,32 g/mol |
| Monoisotopische Masse | 200,17763 g/mol |
| SMILES | CCCCCCC(=O)OCCCCC |
| InChIKey | PSQMUBJRXIGVIT-UHFFFAOYSA-N |
| PubChem CID | 61415 |
| ChEBI | CHEBI:179752 |
| EC No. | 231-342-0 |
| DTXSID | DTXSID3064724 |
| Lokaler Name | Pentylheptanoat |
Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 132 |
| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701] |
| SpringerMaterials Properties | Density |
| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
| Dichte | 0.859-0.8630.8623 |
| Aromastoffe | EU Flavoring substances |
| Löslichkeit | soluble in most organic solvents1 ml in 1 ml 95% alcohol (in ethanol) |
| Siedepunkt | 240-245 °C245.44°C |
| Schmelzpunkt | -49.5 °C-50°C |
| Brechungsindex | 1.422-1.4261.4263 |
| Physical Description | Liquidcolourless to pale yellow liquid with a fruity, unripe banana odour |
| FEMA | 2073 | AMYL HEPTANOATE |
| Geruch | at 100.00 %. ethereal fruity unripe banana coconut lemon |
| Geruchsart | fruity |
| JECFA Number | 170 |
| LogP (Verteilungskoeffizient) | 4.79 |
| EPA chemische Informationen | Heptanoic acid, pentyl ester (7493-82-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (138 of 138) of all reports.Not ClassifiedAggregated GHS information provided per 138 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Heptanoic acid, pentyl esterHeptanoic acid, pentyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | IMAP assessments - Heptanoic acid, pentyl ester: Human health tier I assessment |
| Hazard Classes and Categories | Not Classified |
| TSCA-Inventar-Status | TSCA listed |
Anwendungen & Verwendung
Verwenden
Food additive.
Herstellung & Synthese
synthetische
From the corresponding heptanoic acid and n-amyl alcohol in the presence of mineral acids or in benzene solution in the presence of p-toluene sulfonic acid.