CAS 1696-20-4 4-Acetylmorpholine (HCID 15543)

Overview

4-acetyl-Morpholine is a member of morpholines.

Names & identifiers

Preferred name: 4-Acetylmorpholine
IUPAC: 1-morpholin-4-ylethanone
English name: N-Acetylmorpholine
Molecular formula: C6H11NO2
Molecular weight: 129.16

Names & synonyms

1696-20-4N-ACETYLMORPHOLINE4-AcetylmorpholineNSC 2764DTXSID9061889Ethanone, 1-(4-morpholinyl)-AI3-02844EINECS 216-913-4BRN 0111971N-1-Acetyl morpholineEC 216-913-44-27-00-00274 (Beilstein Handbook Reference)

Show more names

N-AcetylmorfolinAcetylmorpholineN-Aetylmorpholinen-acetylmorfoline4-acetyl-morpholin

RefChem:97644DTXCID3035428216-913-4InChI=1/C6H11NO2/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1HKYWXRBNOYGGPIZ-UHFFFAOYSA-N1-MorpholinoethanoneMorpholine, 4-acetyl-1-(morpholin-4-yl)ethan-1-one

Database identifiers

CAS: 1696-20-4
PubChem CID: 15543
DTXSID: DTXSID9061889
ChEBI: CHEBI:229412
UNII: KNM8H2HUC7
EC Number: 216-913-4
Nikkaji: J48.663I

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 29.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 108

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Physicochemical properties

Melting point: 14 °C · 14 °C (lit.)
Boiling point: 240 · 240-245 °C
Density: 1.116 g/mL · 1.116 g/mL at 25 °C (lit.)
vapor pressure: 2.2 Pa · 2.2Pa at 20℃
refractive index: 20 · n20/D 1.483(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Sealed in dry,Room Temperature
form: clear liquid
pka: -0.72 · -0.72±0.20(Predicted)
Specific Gravity: 1.116 · 1.116
color: Colorless to Light yellow
Water Solubility: MISCIBLE
BRN: 111971 · 111971
InChI: 1S/C6H11NO2/c1-6(8)7-2-4-9-5-3-7/h2-5H2,1H3
InChIKey: KYWXRBNOYGGPIZ-UHFFFAOYSA-N
SMILES: CC(=O)N1CCOCC1
LogP: -0.81 at · -0.81 at 24℃
CAS DataBase Reference: 1696 · 1696-20-4(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
NIST Chemistry Reference: 4 · Morpholine, 4-acetyl-(1696-20-4)
EPA Substance Registry System: 4 · Morpholine, 4-acetyl- (1696-20-4)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Warning
Hazard statements: 317 · H317-H361
Precautionary statements: 201 · P201-P280-P302+P352-P308+P313
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi,Xn
Risk Statements: 36 · 36-62-43
Safety Statements: 26 · 26-36-39-36/37
WGK Germany: 1 · 1
RTECS: 7000000 · QD7000000
TSCA: TSCA listed
HS Code: 29349990 · 29349990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 2 Skin · Repr. 2Skin Sens. 1
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (51%): Causes skin irritation [Warning Skin corrosion/irritation]

P203, P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P318, P321, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 357 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 2 items

Status: Active Update: 09-10-2013 https://echa.europa.eu/registration-dossier/-/registered-dossier/12471

Morpholine, 4-acetyl-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (51%)

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 1
tsca: TSCA listed
rtecs: QD7000000
hs_code: 29349990
risk_code: 36-62-43
Signal word: Warning
Symbol(GHS): GHS07,GHS08
hazard_code: Xi,Xn
safety_code: 26-36-39-36/37
Storage Class: 10 - Combustible liquids
Hazard statements: H317-H361
REACH Registrations: Inactive
Hazard Classifications: Repr. 2Skin Sens. 1
Precautionary statements: P201-P280-P302+P352-P308+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationEthanone, 1-(4-morpholinyl)-: ACTIVE

Applications

UsesN-Acetylmorpholine is a very important pesticide intermediate. It is one of the main raw materials for the synthesis of agricultural fungicides enoylmorpholine and flumorpholine.