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HCID 62024Erstellt: 27. Oktober 2026
Ethyl-2-methylpent-4-en-1-oat
FEMA 3489 · pineapple pentenoate · ethyl 2-Methylpent-4-enoate · ETHYL 2-METHYL-4-PENTENOATE · Ethyl2-Methyl-4-pentenoate>ethyl 2-methylpent-4-en-1-oate · 2-methyl-4-pentenoicaciethylester · Ethyl-2-Methyl-4-Pentanoate Ester · ETHYL 2-METHYL-4-PENTENOATE 98+%
https://huagongshe.com/de/chemical/62024
Identifikatoren & physikalische Daten
| CAS No. | 53399-81-8 |
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| Summenformel | C8H14O2 |
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| Durchschnittliche Molmasse | 142,2 g/mol |
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| Monoisotopische Masse | 142,09937969 g/mol |
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| SMILES | C=CCC(C)C(=O)OCC |
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| InChIKey | BDBGKYIBDXAVMX-UHFFFAOYSA-N |
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| PubChem CID | 62024 |
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| ChEBI | CHEBI:180289 |
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| EC No. | 258-520-0 |
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| DTXSID | DTXSID00866320 |
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| Lokaler Name | Ethyl-2-methylpent-4-en-1-oat |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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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 | 5 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 118 |
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| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710] |
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| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| Dichte | 0.8910.873 g/mL at 25 °C (lit.) |
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| Aromastoffe | EU Flavoring substances |
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| Löslichkeit | insoluble in water, soluble in alcohol and fixed oils(in ethanol) |
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| Siedepunkt | 153.00 to 155.00 °C. @ 760.00 mm Hg153-155 °C153-155 °C (lit.) |
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| Brechungsindex | 1.415-1.421n20/D 1.417(lit.) |
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| Schmelzpunkt | -65.52°C (estimate) |
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| FEMA | 3489 | ETHYL 2-METHYL-4-PENTENOATE |
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| Flammpunkt | 105 °F |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Almost colorless |
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| Geruch | at 10.00 % in propylene glycol. fruity green ripe pineapple tropical ripe banana chrysanthemum privet fatty |
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| Geruchsart | fruity |
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| Biologische Quelle | synthetic |
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| JECFA Number | 351 |
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| BRN | 1753406 |
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| Hauptanwendungen | flavors and fragrances |
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| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
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| InChI | 1S/C8H14O2/c1-4-6-7(3)8(9)10-5-2/h4,7H,1,5-6H2,2-3H3 |
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| InChIKey | BDBGKYIBDXAVMX-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)C(C)CC=C |
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| LogP (Verteilungskoeffizient) | 2.33 |
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| CAS Datenbank | 53399-81-8(CAS DataBase Reference) |
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| NIST chemische Informationen | Ethyl 2-methyl-4-pentanoate(53399-81-8) |
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| EPA chemische Informationen | 4-Pentenoic acid, 2-methyl-, ethyl ester (53399-81-8) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1446 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: 4-Pentenoic acid, 2-methyl-, ethyl ester4-Pentenoic acid, 2-methyl-, ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - 4-Pentenoic acid, 2-methyl-, ethyl ester: Environment tier I assessment |
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| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 3272 3/PG 3 |
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| Zollcode | 29161900 |
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| R-Sätze (R) | 10 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant |
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| Sicherheitshinweise (S) | 16 |
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| Gefahrenklasse | 3Flam. Liq. 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 3 - Flammable liquids |
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