HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 75554Erstellt: 2. November 2026
Pentylisobutyrat
FEMA 2059 · PENTYL ISOBUTYRATE · Propanoic acid, 2-methyl-, pentyl ester · AMYL ISOBUTYRATE · Isobutyrate n-amyl · Pentyl isobutanoate · N-AMYL-ISO-BUTYRATE · 1-Pentyl isobutyrate
https://huagongshe.com/de/chemical/75554
Identifikatoren & physikalische Daten
| CAS No. | 2445-72-9 |
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| Summenformel | C9H18O2 |
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| Durchschnittliche Molmasse | 158,24 g/mol |
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| Monoisotopische Masse | 158,13067981 g/mol |
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| SMILES | CCCCCOC(=O)C(C)C |
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| InChIKey | UYGGIIOLYXRSQY-UHFFFAOYSA-N |
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| PubChem CID | 75554 |
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| ChEBI | CHEBI:230547 |
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| EC No. | 219-494-6 |
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| DTXSID | DTXSID5074341 |
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| Lokaler Name | Pentylisobutyrat |
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Chemische & physikalische Eigenschaften
| XLogP | 3 |
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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 | 6 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 108 |
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| SpringerMaterials Properties | Chemical diffusion |
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| Duftstoffe | Fragrance Ingredient (Amyl isobutyrate) -> IFRA transparency List |
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| Aromastoffe | EU Flavoring substances |
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| Schmelzpunkt | -73°C (estimate) |
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| Siedepunkt | 183.34°C (estimate) |
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| Dichte | 0.8809 (estimate) |
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| Brechungsindex | 1.3864 (estimate) |
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| Flammpunkt | 58℃ (tag closed test) |
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| Geruch | at 100.00 %. fruity apple banana apricot buttery |
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| Geruchsart | fruity |
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| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
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| LogP (Verteilungskoeffizient) | 3.177 (est) |
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| EPA chemische Informationen | Propanoic acid, 2-methyl-, pentyl ester (2445-72-9) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 88.7% (125 of 141) of all reports.WarningH226 (11.3%): 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 141 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: Propanoic acid, 2-methyl-, pentyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Pentyl isobutyrate: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - Propanoic acid, 2-methyl-, pentyl ester: Human health tier I assessment |
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| Hazard Classes and Categories | Flam. Liq. 3 (11.3%) |
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| TSCA-Inventar-Status | TSCA listed |
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