Grundinformationen
- Standard-SMILES
C[N+]1([O-])CCOCC1- InChIKey
LFTLOKWAGJYHHR-UHFFFAOYSA-N- Summenformel
- C5H11NO2
- Durchschnittliche Molmasse
- 117,15 g/mol
- Monoisotopische Masse
- 117,07897859
Überblick
N-methylmorpholine N-oxide is a morpholine N-oxide resulting from the oxidation of the amino group of N-methylmorpholine.
Namen und Bezeichner
- Bevorzugter Name
- Methyl morpholine oxide
- IUPAC
- 4-methyl-4-oxidomorpholin-4-ium
- Lokaler Name
- 4-Methylmorpholin-4-oxidmonohydrat
- Englischer Name
- 4-Methylmorpholine N-oxide
- Summenformel
- C5H11NO2
- Molmasse
- 117.15
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
7529-22-8- PubChem CID
- 82029
- DTXSID
DTXSID3029287- ChEMBL
CHEMBL3184330- ChEBI
CHEBI:52093- UNII
- ARC64PKJ0F
- EC Number
- 231-391-8
- Nikkaji
- J256.599D
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,7
- Polarare Oberfläche (TPSA)
- 27,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 78,5
Experimentelle und physikochemische Eigenschaften
Physical Description
Liquid
White hygroscopic solid; [Merck Index] Light yellow crystalline solid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 180 · 180-184 °C(lit.)
- Siedepunkt
- 118 · 118-119°C
- Dichte
- 1 · 1,14 g/cm3
- Dampfdruck
- 1.41 hPa · 1.41hPa at 20℃
- Brechungsindex
- 20 · n20/D 1.43
- Flammpunkt
- 118 · 118-119°C
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- DMSO (Soluble), Methanol (Slightly)
- Aggregatzustand
- Liquid
- pka
- 4.93 · 4.93±0.20(Predicted)
- Farbe
- Clear colorless to yellow
- PH
- 9 · 9.00 ( in neat)
- Wasserlöslichkeit
- Soluble in water, methanol, ethanol, acetone, ethers and dimethylsulfoxide.
- BRN
- 507437 · 507437
- Stabilität
- Hygroscopic
- Kosmetik-Inhaltsstoffe Funktionen
- SURFACTANT - FOAM BOOSTINGSURFACTANT - CLEANSINGCLEANSING
- InChI
- 1S/C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3
- InChIKey
- LFTLOKWAGJYHHR-UHFFFAOYSA-N
- SMILES
- C[N+]1([O-])CCOCC1
- LogP
- -1.2 at · -1.2 at 25℃
- CAS Datenbank
- 7529 · 7529-22-8(CAS DataBase Reference)
- NIST chemische Informationen
- N-Methylmorpholine-N-oxide(7529-22-8)
- EPA chemische Informationen
- 4 · Morpholine, 4-methyl-, 4-oxide (7529-22-8)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (1 of 202) of reports.
Danger
H228 (66.8%): Flammable solid [Danger Flammable solids]
P203, P210, P220, P240, P241, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 202 reports by companies from 14 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Morpholine, 4-methyl-, 4-oxide
Morpholine, 4-methyl-, 4-oxide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Morpholine, 4-methyl-, 4-oxide 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: 12-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/15946
Morpholine, 4-methyl-, 4-oxide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
An irritant; [Merck Index] An oxidizer that may intensify fire; [ECHA REACH Registrations] A skin and strong eye irritant; May cause allergic reactions in sensitive individuals, based on QSAR modeling; [Sigma-Aldrich MSDS] Search for (7529-22-8[EC/RN Number]) AND (allergic OR sensitizer OR sensitization OR dermatitis): no results; [PubMed]
Sicherheitsdaten
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29349990
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36/37
- Speicherklasse
- 4.1B - Flammable solid hazardous materials
- Hazard Classifications
- Flam. Sol. 1Repr. 2
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as a reagent in synthetic organic chemistry and commercially for swelling and dissolution of cellulose; [Merck Index] Used as an intermediate, to make flexible and rigid polyurethane foams, as a solvent in synthetic fiber production, and in industrial and professional coatings, adhesives, and sealants; [ECHA REACH Registrations]
Textiles (Fiber & Fabric Manufacturing) [Category: Industry]
General Manufacturing Information
Organic Fiber Manufacturing
Morpholine, 4-methyl-, 4-oxide: ACTIVE
Anwendungen
Verwenden4-Methylmorpholine N-Oxide is a metabolite of Morpholine (M723725). N-Methylmorpholine N-Oxide is commonly used to dissolve cellulose as well as in the dissolution of of scleroproteins.
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