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Methyl-3-methyl-2-butenoat
methyl 3-methylbut-2-enoate · METHYL 3,3-DIMETHYLACRYLATE · 3,3-Dimethylacrylate · 3,3-DIMETHYL ACRYLIC ACID METHYL ESTER · Methyl senecioate · Methyl 3-methyl-2-bu · Methyl isopentenoate · Methyl 3,3-DiMethylacr
Identifikatoren & physikalische Daten
| CAS No. | 924-50-5 |
|---|---|
| Summenformel | C6H10O2 |
| Durchschnittliche Molmasse | 114,14 g/mol |
| Monoisotopische Masse | 114,06807956 g/mol |
| SMILES | COC(=O)C=C(C)C |
| InChIKey | FZIBCCGGICGWBP-UHFFFAOYSA-N |
| PubChem CID | 13546 |
| ChEMBL | CHEMBL299017 |
| EC No. | 213-107-4 |
| DTXSID | DTXSID1061283 |
| Lokaler Name | Methyl-3-methyl-2-butenoat |
Chemische & physikalische Eigenschaften
| XLogP | 1,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 110 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | -41°C |
| Siedepunkt | 70-75 °C60 mm Hg(lit.) |
| Dichte | 0.935 g/mL at 20 °C |
| Brechungsindex | n20/D 1.4364(lit.) |
| Flammpunkt | 99 °F |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Almost colorless |
| Löslichkeit | Soluble in chloroform. Insoluble in water, |
| BRN | 1741592 |
| InChI | 1S/C6H10O2/c1-5(2)4-6(7)8-3/h4H,1-3H3 |
| InChIKey | FZIBCCGGICGWBP-UHFFFAOYSA-N |
| SMILES | COC(=O)\C=C(\C)C |
| LogP (Verteilungskoeffizient) | 1.715 (est) |
| CAS Datenbank | 924-50-5(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Butenoic acid, 3-methyl-, methyl ester(924-50-5) |
| EPA chemische Informationen | 2-Butenoic acid, 3-methyl-, methyl ester (924-50-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 71 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 19-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10290 |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 8 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3272 3/PG 3 |
| Zollcode | 29161900 |
| R-Sätze (R) | 10 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 16-29-33 |
| Gefahrenklasse | 3Flam. Liq. 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Methyl 3,3-dimethylacrylate is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.