HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 86921Erstellt: 3. November 2026
Butylisocyanatoacetat
BUTYL ISOCYANATOACETATE · n-Butyl isocanatoacetate · ButylIsocyanatoacetate>N-Butyl isocyanatoacetate · Butyl isocyanatoacetate,98% · n-Butyl isocyanatoacetate 98% · isocyanato-aceticacibutylester · Butoxycarbonylmethyl isocyanate · butyl N-(oxomethylene)glycinate
https://huagongshe.com/de/chemical/86921
Identifikatoren & physikalische Daten
| CAS No. | 17046-22-9 |
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| Summenformel | C7H11NO3 |
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| Durchschnittliche Molmasse | 157,17 g/mol |
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| Monoisotopische Masse | 157,07389321 g/mol |
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| SMILES | CCCCOC(=O)CN=C=O |
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| InChIKey | RMZSOGJUEUFCBK-UHFFFAOYSA-N |
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| PubChem CID | 86921 |
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| EC No. | 241-114-2 |
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| DTXSID | DTXSID1066152 |
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| Lokaler Name | Butylisocyanatoacetat |
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Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
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| Polarare Oberfläche (TPSA) | 55,7 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 6 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 161 |
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| Siedepunkt | 213 °C (lit.) |
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| Dichte | 1.06 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.43(lit.) |
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| Flammpunkt | 210 °F |
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| Lagerbedingungen | 2-8°C |
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| Löslichkeit | Slightly soluble in water |
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| Aggregatzustand | clear liquid |
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| Farbe | Colorless to Light yellow |
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| InChI | 1S/C7H11NO3/c1-2-3-4-11-7(10)5-8-6-9/h2-5H2,1H3 |
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| InChIKey | RMZSOGJUEUFCBK-UHFFFAOYSA-N |
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| SMILES | CCCCOC(=O)CN=C=O |
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| CAS Datenbank | 17046-22-9(CAS DataBase Reference) |
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| EPA chemische Informationen | Acetic acid, isocyanato-, butyl ester (17046-22-9) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 5 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 (88.9%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 1693 6.1/PG 2 |
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| Zollcode | 2929.10.8090 |
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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) | 23-26-36 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Resp. Sens. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
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