2-(morpholin-4-yl)ethan-1-ol

• ChemBase ID: 70482
• Molecular Formular: C6H13NO2
• Molecular Mass: 131.17292
• Monoisotopic Mass: 131.09462866
• SMILES: C(CN1CCOCC1)O
• Canonical SMILES: OCCN1CCOCC1
• InChI: InChI=1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2
• InChIKey: KKFDCBRMNNSAAW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(morpholin-4-yl)ethan-1-ol
• IUPAC Traditional name: 4-morpholineethanol
• Synonyms: 2-Morpholinoethanol; 2-Morpholinoethanol; 4-Morpholineethanol; 4-(2-Hydroxyethyl)morpholine; 2-(4-Morpholinyl)ethanol; N-(2-Hydroxyethyl)morpholine; N-(β-Hydroxyethyl)morpholine; NSC 1946; β-Morpholinoethanol; 4-(2-Hydroxyethyl)morpholine; 4-Morpholineethanol; Morpholinoethanol; 4-(2-HYDROXYETHYL)MORPHOLINE; 2-(4-Morpholino)ethyl Alcohol; 2-(4-Morpholinyl)-1-ethanol; 2-吗啉乙醇; 4-羟乙基吗啉; 4-(2-羟乙基)吗啉; 4-2-羟乙基吗啉

Database IDs

• CAS Number: 622-40-2
• EC Number: 210-734-5
• MDL Number: MFCD00006180
• Beilstein Number: 104375
• PubChem SID: 24895537; 24878292; 162036198
• PubChem CID: 61163

CALCULATED PROPERTIES

• Acid pKa: 15.59298
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.413004
• LogD (pH = 7.4): -0.9279184
• Log P: -0.718433
• Molar Refractivity: 35.3549 cm^3
• Polarizability: 13.90578 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 1-2°C
• Boiling Point: 226-228°C; 227 °C/757 mmHg(lit.)
• Flash Point: 208.4 °F; 98 °C; 99°C(210°F)
• Density: 1.08 g/ml; 1.080; 1.083 g/mL at 25 °C(lit.)
• Refractive Index: 1.4775; n20/D 1.476(lit.); n20/D 1.478

Safety Information

• Storage Condition: 2-8°C
• Storage Warning: IRRITANT
• RTECS: QE3510000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38; 37/38-41; R:36/37/38
• Safety Statements: 26-36; 26-37/39; S:20-25-26-37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H318-H315-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95.0% (GC); ≥99.0% (GC); 95+%; 97%; 98%; 99%
• Grade: purum; ReagentPlus®
• Cation Traces: Ca: ≤10 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Empirical Formula (Hill Notation): C6H13NO2

DETAILS

MP Biomedicals - 02157445

1 ml = approx. 1.08 g

Sigma Aldrich - H28203

Packaging
5, 100, 250 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 54409

Other Notes
Gel buffer component in gel electrophoresis of polystyrene particles in glutaraldehyde cross-linked polyvinyl alcohol1

Toronto Research Chemicals - M723750

4-(2-Hydroxyethyl)morpholine is a morphiline derivative used in the preparation of ester prodrugs of naproxen. 4-(2-Hydroxyethyl)morpholine was also shown to induce repair in rat hepatocyte primary culture/DNA.

REFERENCES

• Conaway, C.C. et al.: Mutat. Res. Gen. Toxicol. Test., 136, 153 (1984)
• Tsai, S.-W. et al.: Chem. Technol. Biotechnol., 74, 751 (1984)