1,4:3,6-Dianhydro-2,5-di-O-methyl-D-glucitol
DIMETHYL ISOSORBIDE · DIMETHYL ISOBORBIDE · 1,4:3,6-DIANHYDRO-2,5-DI-O-METHYL-D-GLUCITOL · (3R,3aR,6S,6aR) · O,O-DIMETHYLISOSORBIDE · 2,5-dimethylisosorbide · DiMethyl Isosorbide(DMI) · SOSORBIDE DIMETHYL ETHER
Identifikatoren & physikalische Daten
| CAS No. | 5306-85-4 |
|---|---|
| Summenformel | C8H14O4 |
| Durchschnittliche Molmasse | 174,19 g/mol |
| Monoisotopische Masse | 174,08920893 g/mol |
| SMILES | CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC |
| InChIKey | MEJYDZQQVZJMPP-ULAWRXDQSA-N |
| PubChem CID | 62990 |
| EC No. | 226-159-8 |
| DTXSID | DTXSID201019399 |
| Lokaler Name | 1,4:3,6-Dianhydro-2,5-di-O-methyl-D-glucitol |
Chemische & physikalische Eigenschaften
| XLogP | -0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 36,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 143 |
| Kosmetika | Solvent |
| Animal Drugs | Pharmaceuticals -> UK Veterinary Medicines Directorate List |
| Physical Description | Liquid |
| Schmelzpunkt | -70°C |
| Siedepunkt | 93-95 °C0.1 mm Hg(lit.) |
| Dichte | 1.15 g/mL at 25 °C(lit.) |
| Dampfdruck | 12.54Pa at 20℃ |
| Brechungsindex | n20/D 1.461(lit.) |
| Flammpunkt | 227 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless to light yellow |
| pH | 7.0-8.0 (100g/l, H2O, 20℃) |
| Löslichkeit | Soluble in water. |
| BRN | 80854 |
| Kosmetik-Inhaltsstoffe Funktionen | SOLVENTVISCOSITY CONTROLLING |
| InChI | 1S/C8H14O4/c1-9-5-3-11-8-6(10-2)4-12-7(5)8/h5-8H,3-4H2,1-2H3/t5-,6+,7-,8-/m1/s1 |
| InChIKey | MEJYDZQQVZJMPP-ULAWRXDQSA-N |
| SMILES | CO[C@H]1COC2[C@@H](COC12)OC |
| LogP (Verteilungskoeffizient) | -1.62 |
| CAS Datenbank | 5306-85-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 99.6% (225 of 226) of all reports.Not ClassifiedAggregated GHS information provided per 226 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-methyl-D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-methyl- 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)PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 08-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/21446D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Not Classified |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29092000 |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Isosorbide dimethyl ether (DMI), a sustainable solvent, is widely used in various cosmetic and pharmaceutical formulations.General applications:DMI can be used as an alternative green solvent for epoxidation of cyclooctene, Baylis–Hillman reaction of isomaltulose-derived aldehydes with α,β-unsaturated ketones and also in solid-phase synthesis.It can be used as a coalescent for water-borne paints, where it acts as a co-solvent during the water loss phase and as a coalescing agent during the film formation.
Herstellung & Synthese
synthetische
Isosorbide dimethyl ether is synthesized from isosorbide by methylation.Isosorbide dimethyl ether is obtained from stock like D-sorbitol, which is mainly derived from the hydrogenation of D-glucose.Isosorbide dimethyl has a low level of toxicity and is referred to as a green solvent due to its production from renewable/raw material.The boiling point of this solvent is high.lt is used as a substitute to dimethyl sulfoxide,and dimethylformamide-like solvents.