Grundinformationen
- Standard-SMILES
CO[C@H]1CO[C@H]2[C@@H]1OC[C@H]2OC- InChIKey
MEJYDZQQVZJMPP-ULAWRXDQSA-N- Summenformel
- C8H14O4
- Durchschnittliche Molmasse
- 174,19 g/mol
- Monoisotopische Masse
- 174,08920893
Namen und Bezeichner
- Bevorzugter Name
- Dimethyl Isosorbide
- IUPAC
- (3S,3aR,6R,6aR)-3,6-dimethoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan
- Lokaler Name
- 1,4:3,6-Dianhydro-2,5-di-O-methyl-D-glucitol
- Englischer Name
- Isosorbide dimethyl ether
- Summenformel
- C8H14O4
- Molmasse
- 174.2
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
5306-85-4- PubChem CID
- 62990
- DTXSID
DTXSID201019399- UNII
- SA6A6V432S
- EC Number
- 226-159-8
- Nikkaji
- J208.650F
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,6
- Polarare Oberfläche (TPSA)
- 36,9 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 143
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- -70 °C · -70°C
- Siedepunkt
- 93 · 93-95 °C0.1 mm Hg(lit.)
- Dichte
- 1.15 g/mL · 1.15 g/mL at 25 °C(lit.)
- Dampfdruck
- 12.54 Pa · 12.54Pa at 20℃
- Brechungsindex
- 20 · n20/D 1.461(lit.)
- Flammpunkt
- 227 °F · 227 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to light yellow
- PH
- 7 · 7.0-8.0 (100g/l, H2O, 20℃)
- Wasserlöslichkeit
- Soluble in water.
- BRN
- 80854 · 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
- -1.62 · -1.62
- CAS Datenbank
- 5306 · 5306-85-4(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 99.6% (225 of 226) of all reports.
Not Classified
Aggregated GHS information provided per 226 reports by companies from 2 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
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/21446
D-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.
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29092000
- safety_code
- 23-24/25
- Speicherklasse
- 10 - Combustible liquids
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
Pharmaceutical and Medicine Manufacturing
D-Glucitol, 1,4:3,6-dianhydro-2,5-di-O-methyl-: ACTIVE
Anwendungen
VerwendenIsosorbide 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.
Darstellung
synthetischeIsosorbide 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.
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