1-(morpholin-4-yl)ethan-1-one

• ChemBase ID: 108186
• Molecular Formular: C6H11NO2
• Molecular Mass: 129.15704
• Monoisotopic Mass: 129.0789786
• SMILES: CC(=O)N1CCOCC1
• Canonical SMILES: CC(=O)N1CCOCC1
• InChI: InChI=1S/C6H11NO2/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1H3
• InChIKey: KYWXRBNOYGGPIZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(morpholin-4-yl)ethan-1-one
• IUPAC Traditional name: morpholine, 4-acetyl-
• Synonyms: 4-Acetylmorpholine; N-ACETYL MORPHOLINE; N-Acetylmorpholine; 1-Morpholinoethanone; 4-乙酰基吗啉; N-乙酰基吗啉

Database IDs

• CAS Number: 1696-20-4
• EC Number: 216-913-4
• MDL Number: MFCD00006171
• Beilstein Number: 111971
• PubChem SID: 24890598; 162094058
• PubChem CID: 15543

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.80143666
• LogD (pH = 7.4): -0.80143666
• Log P: -0.80143666
• Molar Refractivity: 33.3338 cm^3
• Polarizability: 12.991205 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 14 °C(lit.); 9-10°C
• Boiling Point: 240-245 °C; 245-246°C
• Flash Point: >110°C(230°F); 122 °C; 251.6 °F
• Density: 1.116; 1.116 g/mL at 25 °C(lit.)
• Refractive Index: 1.4845; n20/D 1.483(lit.); n20/D 1.484

Safety Information

• RTECS: QD7000000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36; 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H319
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥98.0% (GC); 98%; 99%
• Grade: purum
• Empirical Formula (Hill Notation): C6H11NO2

DETAILS

MP Biomedicals - 05206380

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A18834

Packaging
25, 100 g in glass bottle