HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 95310Erstellt: 1. November 2026
Ethylsuccinylsuccinat
DESS · DIETHYL SUCCINYLSUCCINATE · ETHYL SUCCINYL SUCCINATE · Diethyl succinosuccinate · DIETHYL SUCCINYLO SUCCINATE · Succinylsuccinic acid diethyl ester · Diethyl 1,4-cyclohexanedione-2,5-Dicarbo · 2,5-bis(ethoxymethyl)cyclohexane-1,4-dione
https://huagongshe.com/de/chemical/95310
Identifikatoren & physikalische Daten
| CAS No. | 787-07-5 |
|---|
| Summenformel | C12H16O6 |
|---|
| Durchschnittliche Molmasse | 256,25 g/mol |
|---|
| Monoisotopische Masse | 256,09468823 g/mol |
|---|
| SMILES | CCOC(=O)C1CC(=O)C(C(=O)OCC)CC1=O |
|---|
| InChIKey | KSKWGMNRWCYVAT-UHFFFAOYSA-N |
|---|
| PubChem CID | 95310 |
|---|
| EC No. | 212-327-8 |
|---|
| DTXSID | DTXSID50883582 |
|---|
| Lokaler Name | Ethylsuccinylsuccinat |
|---|
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|
| Polarare Oberfläche (TPSA) | 86,7 |
|---|
| H-Brücken-Donoren | 0 |
|---|
| H-Brücken-Akzeptoren | 6 |
|---|
| Frei drehbare Bindungen | 6 |
|---|
| Schwere Atome | 18 |
|---|
| Formalladung | 0 |
|---|
| Komplexität | 337 |
|---|
| Schmelzpunkt | 127-129 °C(lit.) |
|---|
| Siedepunkt | 375.7±42.0 °C(Predicted) |
|---|
| Dichte | 1.233±0.06 g/cm3(Predicted) |
|---|
| Lagerbedingungen | Store at room temperature |
|---|
| pKa (Säurekonstante) | 9.12±0.40(Predicted) |
|---|
| Aggregatzustand | powder |
|---|
| Dielektrizitätskonstante | 2.5(19℃) |
|---|
| InChI | InChI=1S/C12H16O6/c1-3-17-11(15)7-5-10(14)8(6-9(7)13)12(16)18-4-2/h7-8H,3-6H2,1-2H3 |
|---|
| InChIKey | KSKWGMNRWCYVAT-UHFFFAOYSA-N |
|---|
| SMILES | C1(C(OCC)=O)CC(=O)C(C(OCC)=O)CC1=O |
|---|
| CAS Datenbank | 787-07-5(CAS DataBase Reference) |
|---|
| EPA chemische Informationen | Diethyl 2,5-dioxo-1,4-cyclohexanedicarboxylate (787-07-5) |
|---|
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. |
|---|
| Regulatorische Informationen | Chemical: 1,4-Cyclohexanedicarboxylic acid, 2,5-dioxo-, diethyl ester |
|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
|---|
| Wassergefährdungsklasse (WGK) | 3 |
|---|
| TSCA-Inventar-Status | TSCA listed |
|---|
| Lagerklasse | 11 - Combustible Solids |
|---|
