Basic information
- CAS
622-40-2- Standard SMILES
OCCN1CCOCC1- InChIKey
KKFDCBRMNNSAAW-UHFFFAOYSA-N- Molecular formula
- C6H13NO2
- Average molar mass
- 131.17 g/mol
- Monoisotopic mass
- 131.09462866
Overview
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.
Names & identifiers
- Preferred name
- 2-Morpholinoethanol
- IUPAC
- 2-morpholin-4-ylethanol
- English name
- 2-Morpholinoethanol
- Molecular formula
- C6H13NO2
- Molecular weight
- 131.17
Names & synonyms
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)-
Show more names
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
Database identifiers
- CAS
622-40-2- PubChem CID
- 61163
- DTXSID
DTXSID2022090- ChEMBL
CHEMBL1821739- ChEBI
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 71.5
Experimental & physicochemical properties
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]
Physicochemical properties
- Melting point
- -1 °C · -1 °C
- Boiling point
- 227 °C757 · 227 °C757 mm Hg(lit.)
- Density
- 1.083 g/mL · 1.083 g/mL at 25 °C(lit.)
- vapor pressure
- 2.44 · 2.44-7Pa at 20-25℃
- refractive index
- 20 · n20/D 1.476(lit.)
- Flash point
- 211 °F · 211 °F
Safety & regulation
GHS classification
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.
Hazard information
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%)
Safety data
- F
- 10-23
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- QE3510000
- hs_code
- 29349990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Cellular LocationsCytoplasm
Metabolite PathwaysMycophenolic Acid Metabolism Pathway
Uses & manufacturing
U.S. Production2023: 250,000 - <550,000 lb
Industry UsesCatalyst
General Manufacturing Information
Plastics Product Manufacturing
4-Morpholineethanol: ACTIVE
Applications
Uses4-(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.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
469 records
Compound notes
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