HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 136573Erstellt: 27. Oktober 2026
2-Cyano-3-methyl-but-2-enoic acid ethyl ester
Ethyl 2-cyano-3-methylbutanoate · Ethyl 2-cyano-3-methylbut-2-enoate · TIMTEC-BB SBB007715 · Ethyl 2-cyano-3-methylcrotonate · Ethyl isopropylidene(cyano)acetate · Ethyl 2-cyano-3-methyl-2-butanoate · ETHYL 2-CYANO-3-METHYL-2-BUTENOATE · Ethyl 2-cyano-3-methyl-2-butenoate,98%
https://huagongshe.com/de/chemical/136573
Identifikatoren & physikalische Daten
| CAS No. | 759-58-0 |
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| Summenformel | C8H11NO2 |
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| Durchschnittliche Molmasse | 153,18 g/mol |
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| Monoisotopische Masse | 153,07897859 g/mol |
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| SMILES | CCOC(=O)C(C#N)=C(C)C |
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| InChIKey | PZMDAADKKAXROL-UHFFFAOYSA-N |
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| PubChem CID | 136573 |
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| EC No. | 625-950-9 |
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| DTXSID | DTXSID20226821 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 50,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 228 |
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| Schmelzpunkt | ca 20℃ |
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| Siedepunkt | 98-99 °C/1 mmHg (lit.) |
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| Dichte | 1.014 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.464(lit.) |
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| Flammpunkt | 224 °F |
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| BRN | 507839 |
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| InChI | 1S/C8H11NO2/c1-4-11-8(10)7(5-9)6(2)3/h4H2,1-3H3 |
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| InChIKey | PZMDAADKKAXROL-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)\C(C#N)=C(\C)C |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 3276 |
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| Zollcode | 29269095 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-37/39 |
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| Gefahrenklasse | 6.1Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 10 - Combustible liquids |
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