4,4-Dimethyl-1,3-oxazolidin-2-one

HCID 141315

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Grundinformationen

CAS: 26654-39-7
Standard-SMILES: CC1(C)COC(=O)N1
InChIKey: SYARCRAQWWGZKY-UHFFFAOYSA-N
Summenformel: C5H9NO2
Durchschnittliche Molmasse: 115,13 g/mol
Monoisotopische Masse: 115,06332853

Namen und Bezeichner

Bevorzugter Name: 4,4-Dimethyl-1,3-oxazolidin-2-one
IUPAC: 4,4-dimethyl-1,3-oxazolidin-2-one
Englischer Name: 4,4-DIMETHYL-2-OXAZOLIDINONE
Summenformel: C5H9NO2
Molmasse: 115.13

Namen und Synonyme

26654-39-74,4-Dimethyl-1,3-oxazolidin-2-one4,4-Dimethyl-2-oxazolidinone2-Oxazolidinone, 4,4-dimethyl-LO6MA6GT2SNSC 489112-Oxazolidinone,4,4-dimethyl-UNII-LO6MA6GT2SDTXSID2074617NSC-48911DIMETHYL-2-OXAZOLIDINONE, 4,4-RefChem:96352

Weitere Namen anzeigen

DMODMRTA14,4-Dimethyloxazolidinone4,4-dimethyl-oxazolidin-2...4,4-dimethyl-oxazolidine-2-one

DTXCID9037539834-980-3SYARCRAQWWGZKY-UHFFFAOYSA-N4,4-dimethyloxazolidin-2-one4,4-DIMETHYL-OXAZOLIDIN-2-ONEMFCD04038702NSC489114-Dimethyl-2-oxazolidon

Datenbank-Bezeichner

CAS: 26654-39-7
PubChem CID: 141315
DTXSID: DTXSID2074617
UNII: LO6MA6GT2S
EC Number: 834-980-3
Nikkaji: J1.510.537B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,3
Polarare Oberfläche (TPSA): 38,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 120

Physikochemische Eigenschaften

Schmelzpunkt: 55 · 55-56 °C(Solv: ethanol (64-17-5); ligroine (8032-32-4))
Siedepunkt: 152 · 152-154 °C(Press: 10 Torr)
Dichte: 1.039 · 1.039±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Aggregatzustand: solid
pka: 12.91 · 12.91±0.40(Predicted)
Farbe: White to off-white
InChI: 1S/C5H9NO2/c1-5(2)3-8-4(7)6-5/h3H2,1-2H3,(H,6,7)
InChIKey: SYARCRAQWWGZKY-UHFFFAOYSA-N
SMILES: CC1(C)COC(=O)N1
EPA chemische Informationen: 2 · 2-Oxazolidinone, 4,4-dimethyl- (26654-39-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.