HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Dibenzylsuccinat
SPASMINE · BENZYL SUCCINATE · DIBENZYL SUCCINATE · TIMTEC-BB SBB006245 · dibenzyl butanedioate · SUCCINIC ACID DIBENZYL ESTER · bis(phenylmethyl) butanedioate · succinic acid bis(benzyl) ester
Identifikatoren & physikalische Daten
| CAS No. | 103-43-5 |
|---|---|
| Summenformel | C18H18O4 |
| Durchschnittliche Molmasse | 298,3 g/mol |
| Monoisotopische Masse | 298,12050906 g/mol |
| SMILES | O=C(CCC(=O)OCc1ccccc1)OCc1ccccc1 |
| InChIKey | ODBOBZHTGBGYCK-UHFFFAOYSA-N |
| PubChem CID | 7653 |
| ChEBI | CHEBI:3058 |
| EC No. | 203-110-9 |
| DTXSID | DTXSID9074434 |
| Lokaler Name | Dibenzylsuccinat |
Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 307 |
| SpringerMaterials Properties | Crystal structure |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 42-43°C |
| Siedepunkt | 245°C/15mm |
| Dichte | 1.256 |
| Brechungsindex | 1.5960 |
| Flammpunkt | 245°C/15mm |
| Aggregatzustand | solid |
| Löslichkeit | Insoluble in water. |
| BRN | 1916056 |
| InChI | 1S/C18H18O4/c19-17(21-13-15-7-3-1-4-8-15)11-12-18(20)22-14-16-9-5-2-6-10-16/h1-10H,11-14H2 |
| InChIKey | ODBOBZHTGBGYCK-UHFFFAOYSA-N |
| SMILES | O=C(CCC(OCC1=CC=CC=C1)=O)OCC2=CC=CC=C2 |
| LogP (Verteilungskoeffizient) | 3.700 (est) |
| CAS Datenbank | 103-43-5(CAS DataBase Reference) |
| EPA chemische Informationen | Butanedioic acid, bis(phenylmethyl) ester (103-43-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 100% (37 of 37) of all reports.Not ClassifiedAggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Butanedioic acid, bis(phenylmethyl) esterButanedioic acid, bis(phenylmethyl) ester: Does not have an individual approval but may be used under an appropriate group standard |
| Weitere Sicherheitsinformationen | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | WGK 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Dibenzyl succinate is used as an organic chemical synthesis intermediate.