Grundinformationen
- Standard-SMILES
OCCN1CCOCC1- InChIKey
KKFDCBRMNNSAAW-UHFFFAOYSA-N- Summenformel
- C6H13NO2
- Durchschnittliche Molmasse
- 131,17 g/mol
- Monoisotopische Masse
- 131,09462866
Überblick
2-(morpholin-4-yl)ethanol is a primary alcohol that is ethanol in which one of the methyl hydrogens is replaced by a morpholin-4-yl group. It is a primary alcohol, a member of morpholines and a tertiary amino compound.
Namen und Bezeichner
- Bevorzugter Name
- 2-Morpholinoethanol
- IUPAC
- 2-morpholin-4-ylethanol
- Lokaler Name
- 2-Morpholinoethanol
- Englischer Name
- 2-Morpholinoethanol
- Summenformel
- C6H13NO2
- Molmasse
- 131.17
Namen und Synonyme
2-Morpholinoethanol622-40-24-(2-Hydroxyethyl)morpholine4-MORPHOLINEETHANOLN-(2-Hydroxyethyl)morpholine2-morpholin-4-ylethanolMorpholineethanol2-(morpholin-4-yl)ethanolEthanol, 2-morpholino-2-(Morpholin-4-Yl)Ethan-1-Olbeta-MorpholinoethanolEthanol, 2-(morpholinyl)-
Weitere Namen anzeigen
2-Morpholinoethan-1-ol2-MORPHOLIN-4-YL-ETHANOLAKOS MSC-0730MORPHOLINOETHANOLAKOS BBS-00004369Morpholine ethanol
.beta.-Morpholinoethanolbeta-Oxyaethyl-morpholin [German]N-(2-Hydroxyethyl)morfolinNSC 1946beta-Oxyaethyl-morpholin2-(4-Morpholinyl)-1-ethanolDTXSID2022090UNII-LY5IL94D3K
Datenbank-Bezeichner
- CAS
622-40-2- PubChem CID
- 61163
- DTXSID
DTXSID2022090- ChEMBL
CHEMBL1821739- ChEBI
CHEBI:67144- UNII
- LY5IL94D3K
- EC Number
- 210-734-5
- Nikkaji
- J24.530E
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,8
- Polarare Oberfläche (TPSA)
- 32,7 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 71,5
Experimentelle und physikochemische Eigenschaften
Chemical ClassesIndustrial compound
DrugsPharmaceuticals -> Metabolite of Mycophenolate mofetil
SpringerMaterials PropertiesOptical coefficient
Physical DescriptionLiquid
Collision Cross Section125.0 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID2022090]
Physikochemische Eigenschaften
- Schmelzpunkt
- -1 °C · -1 °C
- Siedepunkt
- 227 °C757 · 227 °C757 mm Hg(lit.)
- Dichte
- 1.083 g/mL · 1.083 g/mL at 25 °C(lit.)
- Dampfdruck
- 2.44 · 2.44-7Pa at 20-25℃
- Brechungsindex
- 20 · n20/D 1.476(lit.)
- Flammpunkt
- 211 °F · 211 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- Aggregatzustand
- Liquid
- pka
- 14.88 · 14.88±0.10(Predicted)
- Farbe
- Clear colorless to yellow
- PH
- 10.7 · 10.7 (100g/l, H2O, 20℃)
- Explosionsgrenze
- 1.5 · 1.5-9.8%(V)
- Wasserlöslichkeit
- miscible
- BRN
- 104375 · 104375
- Henry's Law Constant
- 1.4 · 1.4×103 mol/(m3Pa) at 25℃, Du et al. (2017)
- InChI
- 1S/C6H13NO2/c8-4-1-7-2-5-9-6-3-7/h8H,1-6H2
- InChIKey
- KKFDCBRMNNSAAW-UHFFFAOYSA-N
- SMILES
- OCCN1CCOCC1
- LogP
- -1.32 at · -1.32 at 25℃
- CAS Datenbank
- 622 · 622-40-2(CAS DataBase Reference)
- NIST chemische Informationen
- 4 · 4-Morpholineethanol(622-40-2)
- EPA chemische Informationen
- 4 · 4-Morpholineethanol (622-40-2)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (16 of 225) of reports.
Warning
H315 (44%): 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 225 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 4-Morpholineethanol
4-Morpholineethanol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Morpholineethanol 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: 22-02-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/9993
4-Morpholineethanol: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (44%)
Sicherheitsdaten
- F
- 10-23
- wgk
- 1
- tsca
- TSCA listed
- hs_code
- 29349990
- RTECS-Nr.
- QE3510000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36-37/39
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2
Chemie und Industrie
Pharmakologische Informationen
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysMycophenolic Acid Metabolism Pathway
Verwendung und Herstellung
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesCatalyst
General Manufacturing Information
Plastics Product Manufacturing
4-Morpholineethanol: ACTIVE
Anwendungen
Verwenden4-(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 cu lture/DNA.
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Ergänzende Hinweise
DefinitionChEBI: 2-Morpholinoethanol is a primary alcohol that is ethanol in which one of the methyl hydrogens is replaced by a morpholin-4-yl group. It is a primary alcohol, a tertiary amino compound and a member of morpholines.
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