Grundinformationen
- Standard-SMILES
COC1CCC(OC)O1- InChIKey
GFISDBXSWQMOND-UHFFFAOYSA-N- Summenformel
- C6H12O3
- Durchschnittliche Molmasse
- 132,16 g/mol
- Monoisotopische Masse
- 132,07864424
Namen und Bezeichner
- Bevorzugter Name
- 2,5-Dimethoxytetrahydrofuran
- IUPAC
- 2,5-dimethoxyoxolane
- Lokaler Name
- Tetrahydro-2,5-dimethoxyfuran
- Englischer Name
- 2,5-Dimethoxytetrahydrofuran
- Summenformel
- C6H12O3
- Molmasse
- 132.16
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
696-59-3- PubChem CID
- 79098
- DTXSID
DTXSID10862378- UNII
- J9CNJ39HZ2
- EC Number
- 211-797-1
- Nikkaji
- J37.038J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,6
- Polarare Oberfläche (TPSA)
- 27,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 74,4
Physikochemische Eigenschaften
- Schmelzpunkt
- -45 °C · -45 °C
- Siedepunkt
- 145 · 145-147 °C(lit.)
- Dichte
- 1.023 g/mL · 1.023 g/mL at 20 °C(lit.)
- Dampfdruck
- 5 hPa · 5 hPa (20 °C)
- Brechungsindex
- 20 · n20/D 1.418
- Flammpunkt
- 95 °F · 95 °F
- storage temp.
- 30 °C · Store below +30°C.
- Löslichkeit
- 300 g/l · 300g/l
- Aggregatzustand
- Liquid
- Farbe
- Clear colorless to slightly yellow
- PH
- 5 · 5 (300g/l, H2O, 20℃)
- Explosionsgrenze
- 2 · 2.0-12.3%(V)
- Wasserlöslichkeit
- 350 g/L · 350 g/L (20 ºC)
- BRN
- 104261 · 104261
- InChI
- 1S/C6H12O3/c1-7-5-3-4-6(8-2)9-5/h5-6H,3-4H2,1-2H3
- InChIKey
- GFISDBXSWQMOND-UHFFFAOYSA-N
- SMILES
- COC1CCC(OC)O1
- LogP
- 0.34 at · 0.34 at 20℃
- CAS Datenbank
- 696 · 696-59-3(CAS DataBase Reference)
- NIST chemische Informationen
- -2 · Furan, tetrahydro-2,5-dimethoxy-(696-59-3)
- EPA chemische Informationen
- -2 · Furan, tetrahydro-2,5-dimethoxy- (696-59-3)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Danger
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 190 reports by companies from 16 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Furan, tetrahydro-2,5-dimethoxy-
Status: Active Update: 23-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/31783
2,5-Dimethoxytetrahydrofuran: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29321900
- risk_code
- 10-36/37/38-36-20/21
- Toxizität
- LD50 orally in Rabbit: 2040 mg/kg
- hazard_code
- Xi,Xn
- safety_code
- 26-36-36/37/39-16
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Acute Tox. 3 InhalationFlam. Liq. 3Skin Irrit. 2
- Selbstentzündungstemperatur
- >205 °C
Chemie und Industrie
Verwendung und Herstellung
Anwendungen
Verwenden2,5-Dimethoxytetrahydrofuran is a tetrahydrofuran derivative that finds application in proteomics research and in organic synthesis. It is also used as an intermediate for atropine sulfate, which is an anticholinergic drug. Further, it acts as a precursor of butanediol. In addition to this, it is used as a photographic hardener and as disinfectant in formulations.
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