HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 79384Erstellt: 26. Oktober 2026
Diethylisopentylmalonat
(3-Methylbutyl)propa · DIETHYL ISOAMYLMALONATE · DIETHYL ISOPENTYLMALONATE · Diethyl 2-isopentylmalonate · Diethyl isoamylmalonate 97% · Diethylisopentylmalonate,98% · Diethyl 3-methylbutylmalonate · Diethyl #niso-pentylmalonate
https://huagongshe.com/de/chemical/79384
Identifikatoren & physikalische Daten
| CAS No. | 5398-08-3 |
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| Summenformel | C12H22O4 |
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| Durchschnittliche Molmasse | 230,3 g/mol |
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| Monoisotopische Masse | 230,15180918 g/mol |
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| SMILES | CCOC(=O)C(CCC(C)C)C(=O)OCC |
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| InChIKey | MPJCIHOJXMCSIM-UHFFFAOYSA-N |
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| PubChem CID | 79384 |
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| EC No. | 226-424-8 |
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| DTXSID | DTXSID20202281 |
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| Lokaler Name | Diethylisopentylmalonat |
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Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
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| Polarare Oberfläche (TPSA) | 52,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 9 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 205 |
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| SpringerMaterials Properties | Boiling point |
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| Siedepunkt | 248-251°C |
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| Dichte | 0,958 g/cm3 |
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| Brechungsindex | 1.4255 (estimate) |
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| Lagerbedingungen | Storage temp. 2-8°C |
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| InChI | InChI=1S/C12H22O4/c1-5-15-11(13)10(8-7-9(3)4)12(14)16-6-2/h9-10H,5-8H2,1-4H3 |
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| InChIKey | MPJCIHOJXMCSIM-UHFFFAOYSA-N |
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| SMILES | C(OCC)(=O)C(CCC(C)C)C(OCC)=O |
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| CAS Datenbank | 5398-08-3(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Sicherheitshinweise (S) | 23-24/25 |
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