N-Methylmorpholine N-oxide monohydrate

HCID 2724197

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Grundinformationen

CAS: 70187-32-5
Standard-SMILES: C[N+]1([O-])CCOCC1.O
InChIKey: WAZPLXZGZWWXDQ-UHFFFAOYSA-N
Summenformel: C5H13NO3
Durchschnittliche Molmasse: 135,16 g/mol
Monoisotopische Masse: 135,08954328

Namen und Bezeichner

Bevorzugter Name: N-Methylmorpholine N-oxide monohydrate
IUPAC: 4-methyl-4-oxidomorpholin-4-ium;hydrate
Englischer Name: 4-Methylmorpholine N-oxide monohydrate
Summenformel: C5H11NO2
Molmasse: 117.15

Namen und Synonyme

70187-32-5N-Methylmorpholine N-oxide monohydrate4-Methylmorpholine 4-oxide monohydrateN-methylmorpholine oxide monohydrateUNII-087WU2FTQ5087WU2FTQ54-methylmorpholine oxide monohydrateN-METHYLMORPHOLINE N-OXIDE MONOHYDRATE [MI]MORPHOLINE, 4-METHYL-, 4-OXIDE, HYDRATE (1:1)RefChem:163858231-391-84-Methylmorpholine N-oxide monohydrate

Weitere Namen anzeigen

nmmoNMO monohydrateLABOTEST-BB LT00848163ine N-oxide monohydrateN-Methylmorpholin-N-oxidN-METHYL MORPHOLIN OXIDEN-METHYLMORPHOLINE-N-OXIDE HYDRATE4-METHYLMORPHOLINE-OXIDE MONOHYDRATE

80913-66-24-Methylmorpholine N-oxide Hydrate4-Methylmorpholine 4-oxide hydrate4-Methylmorpholine 4-oxide xhydrateMFCD00149388N-methylmorpholine-N-oxide monohydrate4-methyl-4-oxidomorpholin-4-ium;hydrate4-methyl-1,4-oxazinan-4-ium-4-olate hydrate

Datenbank-Bezeichner

CAS: 70187-32-5、80913-66-2
PubChem CID: 2724197
DTXSID: DTXSID601338654
UNII: 087WU2FTQ5
EC Number: 676-991-4、849-361-3

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 28,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 9
Formalladung: 0
Komplexität: 78,5

Experimentelle und physikochemische Eigenschaften

CosmeticsFoam boosting; Surfactant; Cleansing

Physikochemische Eigenschaften

Schmelzpunkt: 71 · 71-75 °C
storage temp.: 30 °C · Store below +30°C.
Aggregatzustand: Powder
Farbe: White to light beige
Wasserlöslichkeit: Soluble in water.
BRN: 5449441 · 5449441
InChI: InChI=1S/C5H11NO2/c1-6(7)2-4-8-5-3-6/h2-5H2,1H3
InChIKey: LFTLOKWAGJYHHR-UHFFFAOYSA-N
SMILES: [N+]1([O-])(C)CCOCC1
CAS Datenbank: 70187 · 70187-32-5(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

Gefahrenhinweise

Regulatory Information4-Methylmorpholine oxide monohydrate: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 1
tsca: Yes
hs_code: 29339900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Repr. 2

Chemie und Industrie

Verwendung und Herstellung

Use ClassificationCosmetics -> Foam boosting; Surfactant; Cleansing

Anwendungen · 1 Eintrag

Verwenden4-Methylmorpholine N-oxide monohydrate is used as a solvent to prepare cellulose fibers. It is an oxidant and involved in the catalytic OsO4 oxidation of olefins to cis-1,2-diols. It is also involved in ruthenium catalyzed oxidation of alcohols to aldehydes and ketones.