HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 5356352Erstellt: 27. Oktober 2026
Methyl-2-methylisocrotonat
METHYL ANGELATE · Methyl Angelate >Angelic acid methyl ester · methyl 2-methylisocrotonate · Methyl (Z)-2-Methyl-2-butenoate · METHYL (Z)-2-METHYLBUT-2-ENOATE · 2-METHYLISOCROTONIC ACID METHYL ESTER · 2-methyl-,methylester,(Z)-2-Butenoicacid · (Z)-2-METHYL-2-BUTENOIC ACID METHYL ESTER
https://huagongshe.com/de/chemical/5356352
Identifikatoren & physikalische Daten
| CAS No. | 5953-76-4 |
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| Summenformel | C6H10O2 |
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| Durchschnittliche Molmasse | 114,14 g/mol |
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| Monoisotopische Masse | 114,06807956 g/mol |
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| SMILES | C/C=C(/C)C(=O)OC |
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| InChIKey | YYJWBYNQJLBIGS-PLNGDYQASA-N |
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| PubChem CID | 5356352 |
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| ChEMBL | CHEMBL298987 |
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| EC No. | 227-718-9 |
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| DTXSID | DTXSID001302312 |
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| Lokaler Name | Methyl-2-methylisocrotonat |
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Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
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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 | 2 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 114 |
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| Siedepunkt | 130 °C |
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| Dichte | 0,95 g/cm3 |
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| Brechungsindex | 1.4310-1.4340 |
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| Lagerbedingungen | 0-10°C |
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| Löslichkeit | soluble in Methanol |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Light yellow |
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| Geruch | pungent ethereal |
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| InChI | InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4- |
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| InChIKey | YYJWBYNQJLBIGS-PLNGDYQASA-N |
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| SMILES | C(OC)(=O)/C(/C)=C\C |
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| LogP (Verteilungskoeffizient) | 1.715 (est) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (75%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P272, P280, P302+P352, P303+P361+P353, P321, P333+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: 2-Butenoic acid, 2-methyl-, methyl ester, (E)- |
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| Hazard Classes and Categories | Flam. Liq. 3 (75%) |
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| UN-Transportnummer | 3272 |
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| Zollcode | 2916199590 |
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| R-Sätze (R) | 10 |
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| Sicherheitshinweise (S) | 16 |
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| Gefahrenklasse | 3 |
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| Verpackungsgruppe | III |
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