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Methyl 2-propen-1-yl carbonate
Ally methyl carbonate · Methyl allyl carbonate · ALLYL METHYL CARBONATE · Allyl Methyl carbonate 98% · methylprop-2-enylcarbonate · Allyl Methyl Carbonate >Allyl methyl carbonate ,98% · 3-(Methoxycarbonyloxy)propene · Methyl 2-propen-1-yl carbonate
Identifikatoren & physikalische Daten
| CAS No. | 35466-83-2 |
|---|---|
| Summenformel | C5H8O3 |
| Durchschnittliche Molmasse | 116,11 g/mol |
| Monoisotopische Masse | 116,04734412 g/mol |
| SMILES | C=CCOC(=O)OC |
| InChIKey | YHLVIDQQTOMBGN-UHFFFAOYSA-N |
| PubChem CID | 534788 |
| EC No. | 468-750-5 |
| DTXSID | DTXSID30109313 |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 87,7 |
| Siedepunkt | 59-60 °C/35 mmHg (lit.) |
| Dichte | 1.022 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.406(lit.) |
| Flammpunkt | 93 °F |
| Lagerbedingungen | Refrigerator |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| BRN | 1746960 |
| InChI | 1S/C5H8O3/c1-3-4-8-5(6)7-2/h3H,1,4H2,2H3 |
| InChIKey | YHLVIDQQTOMBGN-UHFFFAOYSA-N |
| SMILES | COC(=O)OCC=C |
| EPA chemische Informationen | Carbonic acid, methyl 2-propenyl ester (35466-83-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, 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. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: No longer Valid Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3762 |
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3272 3/PG 3 |
| Zollcode | 29209090 |
| R-Sätze (R) | 10-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39-16 |
| Gefahrenklasse | 3.2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Employed in the Pd(0)-mediated synthesis of allyl aryl ethers and sulfides, and α,β-unsaturated carbonyls.