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Diethylisopropylmalonat
DEIPM · Diethyl isopropyl · Diethyl isopropylMal · DiethylIsopropyMalonate · Diethylisopropylmalonat · Diethyl isopropylmalote · Ethyl isopropylmalonate · DIETHYL ISOPROPYLMALONATE
Identifikatoren & physikalische Daten
| CAS No. | 759-36-4 |
|---|---|
| Summenformel | C10H18O4 |
| Durchschnittliche Molmasse | 202,25 g/mol |
| Monoisotopische Masse | 202,12050906 g/mol |
| SMILES | CCOC(=O)C(C(=O)OCC)C(C)C |
| InChIKey | BYQFBFWERHXONI-UHFFFAOYSA-N |
| PubChem CID | 12966 |
| EC No. | 212-068-0 |
| DTXSID | DTXSID60226820 |
| Lokaler Name | Diethylisopropylmalonat |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 180 |
| Siedepunkt | 62 °C/0.35 mmHg (lit.) |
| Dichte | 0.981 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.42(lit.) |
| Flammpunkt | 198 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Oil |
| pKa (Säurekonstante) | 13.43±0.46(Predicted) |
| Farbe | Colourless |
| BRN | 1101711 |
| InChI | InChI=1S/C10H18O4/c1-5-13-9(11)8(7(3)4)10(12)14-6-2/h7-8H,5-6H2,1-4H3 |
| InChIKey | BYQFBFWERHXONI-UHFFFAOYSA-N |
| SMILES | C(OCC)(=O)C(C(C)C)C(OCC)=O |
| CAS Datenbank | 759-36-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 66.7% (2 of 3) of all reports.WarningH315 (33.3%): 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 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: Propanedioic acid, (1-methylethyl)-, diethyl ester |
| Hazard Classes and Categories | Skin Irrit. 2 (33.3%) |
| Wassergefährdungsklasse (WGK) | 1 |
| UN-Transportnummer | NA1993 |
| Zollcode | 29171900 |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Diethyl Isopropylmalonate can be used to treat CCR2-mediated disease.