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Isopropenyl-methylether
MOP · 2-methoxyprop-1-ene · ISOPROPENYL METHYL ETHER · 2-Methoxyproene · 2-METHYOXYPROPENE · Ether, isopropenyl methyl · CH2=C(CH3)OCH3 · CH3C(OCH3):CH2
Identifikatoren & physikalische Daten
| CAS No. | 116-11-0 |
|---|---|
| Summenformel | C4H8O |
| Durchschnittliche Molmasse | 72,11 g/mol |
| Monoisotopische Masse | 72,05751487 g/mol |
| SMILES | C=C(C)OC |
| InChIKey | YOWQWFMSQCOSBA-UHFFFAOYSA-N |
| PubChem CID | 8300 |
| EC No. | 204-125-3 |
| DTXSID | DTXSID3051591 |
| Lokaler Name | Isopropenyl-methylether |
Chemische & physikalische Eigenschaften
| XLogP | 1,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 5 |
| Formalladung | 0 |
| Komplexität | 38 |
| Dampfdruck | 517.0 [mmHg]27.96 psi ( 55 °C) |
| Physical Description | Liquidbp = 34-36 deg C[MSDSonline] |
| Kovats Retention Index | 482483 |
| Schmelzpunkt | 25°C |
| Siedepunkt | 34-36 °C (lit.) |
| Dichte | 0.753 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.382(lit.) |
| Flammpunkt | −21 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroformnegligible |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| pH | 7 (H2O) |
| BRN | 1734635 |
| InChI | 1S/C4H8O/c1-4(2)5-3/h1H2,2-3H3 |
| InChIKey | YOWQWFMSQCOSBA-UHFFFAOYSA-N |
| SMILES | COC(C)=C |
| LogP (Verteilungskoeffizient) | 1.7 at 21℃ and pH8.1-8.4 |
| CAS Datenbank | 116-11-0(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Propene, 2-methoxy-(116-11-0) |
| EPA chemische Informationen | 1-Propene, 2-methoxy- (116-11-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids]H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H412 (22.1%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P210, P233, P240, P241, P242, P243, P264, P270, P273, P280, P301+P317, P303+P361+P353, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 68 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 25-10-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/109971-Propene, 2-methoxy-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | May form explosive peroxidesAn irritant[MSDSonline] |
| Hazard Classes and Categories | Flam. Liq. 1 (100%)Acute Tox. 4 (100%)Aquatic Chronic 3 (22.1%) |
| Toxicity Data | LCLo (rat) = 64,000 ppm/4h |
| F | 8-10 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 1 |
| Zollcode | 29091990 |
| RTECS-Nr. | UD0800000 |
| R-Sätze (R) | 12-19-22-11 |
| Toxizität | rabbit,LD50,skin,> 20mL/kg (20mL/kg),American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969. |
| Gefahrensymbole | F+,Xn,F |
| Sicherheitshinweise (S) | 3-16-29-33-7/9-9-18 |
| Gefahrenklasse | 3Acute Tox. 4 OralFlam. Liq. 1 |
| Verpackungsgruppe | I |
| Lagerklasse | 3 - Flammable liquids |
| Gefahrstoffdaten | 116-11-0(Hazardous Substances Data) |
| Selbstentzündungstemperatur | 374 °F |
Anwendungen & Verwendung
Verwenden
2-Methoxypropene is used in the synthesis of Macrolactin A, a 24-member macrolide typically employed as an antibiotic. Also used in the synthesis of phenylalanine derivatives used as α4β1 and α4β7 receptor antagonists in the treatment of allergic asthma.