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Ethyl-4,6-dimethyl-2-oxo-2H-pyran-5-carboxylat
AKOS NCG-0023 · TIMTEC-BB SBB008071 · ETHYL ISODEHYDRACETATE · ETHYL ISODEHYDROACETATE · Ethyl isodehydracetate 99% · Ethyl isodehydracetate,97% · Ethylisodehydroacetate,98% · Ethyl isodehydroacetate,95%
Identifikatoren & physikalische Daten
| CAS No. | 3385-34-0 |
|---|---|
| Summenformel | C10H12O4 |
| Durchschnittliche Molmasse | 196,2 g/mol |
| Monoisotopische Masse | 196,07355886 g/mol |
| SMILES | CCOC(=O)c1c(C)cc(=O)oc1C |
| InChIKey | FBPWNVQUVXSXKS-UHFFFAOYSA-N |
| PubChem CID | 76918 |
| ChEMBL | CHEMBL1579791 |
| EC No. | 222-195-3 |
| DTXSID | DTXSID80187489 |
| Lokaler Name | Ethyl-4,6-dimethyl-2-oxo-2H-pyran-5-carboxylat |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 336 |
| Schmelzpunkt | 17-18 °C(lit.) |
| Siedepunkt | 290-295 °C(lit.) |
| Dichte | 1.167 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.515(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Refrigerator |
| Löslichkeit | Chloroform, MethanolInsoluble |
| Aggregatzustand | Oil |
| Farbe | Clear Colorless to Pale Yellow |
| BRN | 145951 |
| InChI | 1S/C10H12O4/c1-4-13-10(12)9-6(2)5-8(11)14-7(9)3/h5H,4H2,1-3H3 |
| InChIKey | FBPWNVQUVXSXKS-UHFFFAOYSA-N |
| SMILES | CCOC(=O)C1=C(C)OC(=O)C=C1C |
| CAS Datenbank | 3385-34-0(CAS DataBase Reference) |
| NIST chemische Informationen | 2H-Pyran-5-carboxylic acid, 4,6-dimethyl-2-oxo-, ethyl ester(3385-34-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29322090 |
| Sicherheitshinweise (S) | 24/25 |
| Lagerklasse | 12 - Non Combustible Liquids |
Anwendungen & Verwendung
Verwenden
Ethyl isodehydroacetate is used in the synthesis of bidentate ligands. Also used in the preparation of insect growth regulators with juvenile hormone activity. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.