HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 67328Erstellt: 27. Oktober 2026
Propylvalerat
PROPYL PENTANOATE · 1-propylpentanoate · PROPYL VALERIANATE · Propylvalerat · Propyl valerate · Propyln-valerate · N-PROPYL VALERATE · Valeric acid propyl
https://huagongshe.com/de/chemical/67328
Identifikatoren & physikalische Daten
| CAS No. | 141-06-0 |
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| Summenformel | C8H16O2 |
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| Durchschnittliche Molmasse | 144,21 g/mol |
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| Monoisotopische Masse | 144,11502975 g/mol |
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| SMILES | CCCCC(=O)OCCC |
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| InChIKey | ROJKPKOYARNFNB-UHFFFAOYSA-N |
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| PubChem CID | 67328 |
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| ChEBI | CHEBI:89769 |
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| EC No. | 205-452-4 |
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| DTXSID | DTXSID90161513 |
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| Lokaler Name | Propylvalerat |
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Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
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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 | 10 |
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| Formalladung | 0 |
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| Komplexität | 89,3 |
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| Lipide | Fatty Acyls [FA] -> Fatty esters [FA07] -> Short fatty esters [FA0710] |
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| SpringerMaterials Properties | Chemical diffusion |
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| Aromastoffe | EU Flavoring substances |
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| Siedepunkt | 167.00 to 168.00 °C. @ 760.00 mm Hg167.55°C |
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| Schmelzpunkt | -70.7 °C-70.7°C |
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| Physical Description | Liquid |
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| Dichte | 0.870 g/mL at 20 °C(lit.) |
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| Brechungsindex | n20/D 1.407 |
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| Flammpunkt | 50 °C |
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| Geruch | at 10.00 % in dipropylene glycol. ethereal fruity pineapple metallic animal |
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| Geruchsart | ethereal |
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| Dielektrizitätskonstante | 4.0(18℃) |
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| Kosmetik-Inhaltsstoffe Funktionen | PERFUMING |
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| LogP (Verteilungskoeffizient) | 2.823 (est) |
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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 40 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: Pentanoic acid, propyl esterPentanoic acid, propyl ester: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - Pentanoic acid, propyl ester: Human health tier I assessment |
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| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
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| Wassergefährdungsklasse (WGK) | 2 |
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| UN-Transportnummer | UN 1993 3/PG 3 |
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| R-Sätze (R) | 10 |
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| Sicherheitshinweise (S) | 16 |
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