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(3S-cis)-3,6-Dimethyl-1,4-dioxan-2,5-dion
LACTIDE · L-LA · L-(-)-LACTIDE · LL-Lactide · L,L-Dilactide · L-(-)-DILACTIDE · (3S)-CIS-3,6-DIMETHYL-1,4-DIOXANE-2,5-DIONE · actide
Identifikatoren & physikalische Daten
| CAS No. | 33135-50-1 |
|---|---|
| Summenformel | C6H8O4 |
| Durchschnittliche Molmasse | 144,12 g/mol |
| Monoisotopische Masse | 144,04225874 g/mol |
| SMILES | C[C@@H]1OC(=O)[C@H](C)OC1=O |
| InChIKey | JJTUDXZGHPGLLC-IMJSIDKUSA-N |
| PubChem CID | 107983 |
| EC No. | 224-832-0 |
| DTXSID | DTXSID5049655 |
| Lokaler Name | (3S-cis)-3,6-Dimethyl-1,4-dioxan-2,5-dion |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 155 |
| Schmelzpunkt | 92-94 °C(lit.) |
| Siedepunkt | 255°C |
| Dichte | 1.186±0.06 g/cm3(Predicted) |
| Dampfdruck | 0.311Pa at 25℃ |
| Brechungsindex | 1.4475 |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in chloroform, and methanol. Slightly soluble in benzene.16.7g/L at 20℃ |
| Aggregatzustand | Solid |
| Farbe | White to Off-White |
| BRN | 82124 |
| Stabilität | Hygroscopic |
| InChI | 1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3/t3-,4-/m0/s1 |
| InChIKey | JJTUDXZGHPGLLC-IMJSIDKUSA-N |
| SMILES | C[C@@H]1OC(=O)[C@H](C)OC1=O |
| LogP (Verteilungskoeffizient) | 0.4 at 25℃ |
| CAS Datenbank | 4511-42-6(CAS DataBase Reference) |
| EPA chemische Informationen | 1,4-Dioxane-2,5-dione, 3,6-dimethyl-, (3S,6S)- (4511-42-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (10.9%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 183 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 01-08-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/11212 |
| Hazard Classes and Categories | Skin Corr. 1B (10.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29322090 |
| R-Sätze (R) | 36/37/38-36 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 13 - Non Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
(3S)-cis-3,6-Dimethyl-1,4-dioxane-2,5-dione may be used in the synthesis of optically active terpyridine containing poly(L-lactide)s, polydisperse lactic acid oligomers, bicyclic and tricyclic lactide derivatives.