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Methyl-4,6-dimethyl-2-oxo-2H-pyran-5-carboxylat
Methyl isodehydrocetat · Methyl isodehydracetate · METHYL ISODEHYDROACETATE · METHYL ISODEHYDROACETATE,97% · Methyl 4,6-dimethyl-2-oxo-2H-p · isodehydroacetic acid methyl ester · methyl 2,4-dimethyl-6-oxopyran-3-carboxylate · METHYL 4,6-DIMETHYL-2-OXO-2H-PYRAN-5-CARBOXYLATE
Identifikatoren & physikalische Daten
| CAS No. | 41264-06-6 |
|---|---|
| Summenformel | C9H10O4 |
| Durchschnittliche Molmasse | 182,17 g/mol |
| Monoisotopische Masse | 182,0579088 g/mol |
| SMILES | COC(=O)c1c(C)cc(=O)oc1C |
| InChIKey | VLYBFLKIZIACQH-UHFFFAOYSA-N |
| PubChem CID | 170485 |
| EC No. | 255-283-5 |
| DTXSID | DTXSID4068292 |
| Lokaler Name | Methyl-4,6-dimethyl-2-oxo-2H-pyran-5-carboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 323 |
| Physical Description | Dry PowderLarge Crystals |
| Schmelzpunkt | 68-70 °C(lit.) |
| Siedepunkt | 167 °C14 mm Hg(lit.) |
| Dichte | 1.1634 (rough estimate) |
| Brechungsindex | 1.4209 (estimate) |
| Lagerbedingungen | -20°C Freezer |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | White |
| CAS Datenbank | 41264-06-6(CAS DataBase Reference) |
| EPA chemische Informationen | 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester (41264-06-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 50% (2 of 4) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 06-04-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23888 |
| Hazard Classes and Categories | Skin Irrit. 2 (50%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29322985 |
| Sicherheitshinweise (S) | 24/25 |
Anwendungen & Verwendung
Verwenden
Methyl Isodehydracetate is used used in the preparation of insect growth regulators with juvenile hormone activity.