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HCID 173535Erstellt: 27. Oktober 2026
3-Methylbut-2-enylisobutyrat
Propanoic acid, 2-methyl-, 3-methyl-2-butenyl ester · PRENYL ISOBUTYRATE · VERTENOL-ISO-BUTYRATE · 3-methylbut-2-enyl isobutyrate · 2-Methylpropanoic acid 3-methyl-2-butenyl ester · Propanoic acid, 2-methyl-, 3-methyl-2-buten-1-yl ester
https://huagongshe.com/de/chemical/173535
Identifikatoren & physikalische Daten
| CAS No. | 76649-23-5 |
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| Summenformel | C9H16O2 |
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| Durchschnittliche Molmasse | 156,22 g/mol |
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| Monoisotopische Masse | 156,11502975 g/mol |
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| SMILES | CC(C)=CCOC(=O)C(C)C |
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| InChIKey | YSJHMPXIMIOXGU-UHFFFAOYSA-N |
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| PubChem CID | 173535 |
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| ChEBI | CHEBI:171775 |
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| EC No. | 278-516-2 |
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| DTXSID | DTXSID6072841 |
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| Lokaler Name | 3-Methylbut-2-enylisobutyrat |
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Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
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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 | 4 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 153 |
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| Lebensmittelzusatzstoffe | FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food |
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| Dichte | 0.887-0.8960.895±0.06 g/cm3(Predicted) |
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| Aromastoffe | EU Flavoring substances |
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| Löslichkeit | Practically insoluble to insoluble in waterSoluble (in ethanol) |
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| Siedepunkt | 77-78 °C (15 mmHg)79.2-79.6 °C(Press: 13 Torr) |
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| Brechungsindex | 1.427-1.434 |
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| Physical Description | Colourless liquidFruity buttery aroma |
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| FEMA | 4206 | PRENYL ISOBUTYRATE |
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| Geruch | at 100.00 %. fruity blueberry raspberry pomegranate pineapple chrysanthemum honey dried fruit |
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| Geruchsart | fruity |
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| JECFA Number | 1828 |
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| Hauptanwendungen | flavors and fragrances |
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| LogP (Verteilungskoeffizient) | 2.95 |
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| EPA chemische Informationen | Prenyl isobutyrate (76649-23-5) |
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Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (90 of 90) of all reports.Not ClassifiedAggregated GHS information provided per 90 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Regulatorische Informationen | Chemical: Propanoic acid, 2-methyl-, 3-methyl-2-butenyl esterCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)Propanoic acid, 2-methyl-, 3-methyl-2-butenyl ester: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Not Classified |
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| Wassergefährdungsklasse (WGK) | WGK 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| Lagerklasse | 10 - Combustible liquids |
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