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Dilactid
LACTIDE · 3,6-DIMETHYL-1,4-DIOXANE-2,5-DIONE · 1,4-Dioxane-2,5-dione, 3,6-dimethyl- · LACTIC ANHYDRIDE · 2-hydroxy-propanoicacibimol.cyclicester · dilactide · D,L-Lactide S · 5-Dione,3
Identifikatoren & physikalische Daten
| CAS No. | 33135-50-1 |
|---|---|
| Summenformel | C6H8O4 |
| Durchschnittliche Molmasse | 144,12 g/mol |
| Monoisotopische Masse | 144,04225874 g/mol |
| SMILES | CC1OC(=O)C(C)OC1=O |
| InChIKey | JJTUDXZGHPGLLC-UHFFFAOYSA-N |
| PubChem CID | 7272 |
| ChEMBL | CHEMBL3185272 |
| ChEBI | CHEBI:177651 |
| EC No. | 202-468-3 |
| DTXSID | DTXSID7041253 |
| Lokaler Name | Dilactid |
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 |
| Stoffklassen | Other Classes -> Other Organic Compounds |
| Physical Description | CBISolid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 116-119 °C |
| Siedepunkt | 142 °C8 mm Hg(lit.) |
| Dichte | 1.186±0.06 g/cm3(Predicted) |
| Dampfdruck | 0.311Pa at 25℃ |
| Flammpunkt | 180°C |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Soluble in chloroform and methanol. Slightly soluble in benzene.16.3g/L at 20℃ |
| Aggregatzustand | Crystalline Powder |
| Farbe | White |
| BRN | 82121 |
| Kosmetik-Inhaltsstoffe Funktionen | ABRASIVESKIN CONDITIONING |
| InChI | 1S/C6H8O4/c1-3-5(7)10-4(2)6(8)9-3/h3-4H,1-2H3 |
| InChIKey | JJTUDXZGHPGLLC-UHFFFAOYSA-N |
| SMILES | CC1OC(=O)C(C)OC1=O |
| LogP (Verteilungskoeffizient) | 0.4 at 25℃ |
| NIST chemische Informationen | 1,4-Dioxane-2,5-dione, 3,6-dimethyl-(95-96-5) |
| EPA chemische Informationen | 1,4-Dioxane-2,5-dione, 3,6-dimethyl- (95-96-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)Aggregated GHS information provided per 158 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | 1,4-Dioxane-2,5-dione, 3,6-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,4-Dioxane-2,5-dione, 3,6-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 13-06-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15774 |
| Gefahrenübersicht | Causes stomach ulceration and changes in renal tubules in 2-week intermittent oral studies of dogs[RTECS] A skin and strong eye irritant[Sigma-Aldrich MSDS] See 4,4-Dimethyl-1,3-dioxane and 1,4-Dioxane. |
| Hazard Classes and Categories | Eye Irrit. 2A (100%) |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29322090 |
| RTECS-Nr. | JH1100000 |
| R-Sätze (R) | 36/37/38-36 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2 |
Anwendungen & Verwendung
Verwenden
DL-Lactide is used to produce 2-hydroxy-propionic acid 1-(1-phenyl-ethoxycarbonyl)-ethyl ester. It acts as an important raw material and an intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyes. It is involved in enzymatic alcoholysis to produce both alkyl (R)-lactates and alkyl (S,S)-lactyllactates.