4-Acetylmorpholine (HCID 15543)

概要

4-acetyl-Morpholine is a member of morpholines.

名称と識別子

優先名称: 4-Acetylmorpholine
IUPAC: 1-morpholin-4-ylethanone
現地名: 4-アセチルモルホリン
英語名: N-Acetylmorpholine
分子式: C6H11NO2
分子量: 129.16

名称と別名

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)

名称をさらに表示

4-アセチルモルホリンメチルモルホリノケトン1-モルホリノエタノンN-アセチルモルホリンN‐アセチルモルホリン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

データベース識別子

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

物性

構造計算による物性

XLogP: -0.7
極性表面積: 29.5 Å²
水素結合供与体数: 0
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 9
形式電荷: 0
複雑度: 108

実験および物理化学的性質

SpringerMaterials PropertiesDensity

物理化学的性質

融点: 14 °C · 14 °C (lit.)
沸点: 240 · 240-245 °C
比重(密度): 1.116 g/mL · 1.116 g/mL at 25 °C (lit.)
蒸気圧: 2.2 Pa · 2.2Pa at 20℃
屈折率: 20 · n20/D 1.483(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Sealed in dry,Room Temperature
外見: clear liquid
酸解離定数(Pka): -0.72 · -0.72±0.20(Predicted)
比重: 1.116 · 1.116
色: Colorless to Light yellow
水溶解度: 混和性
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 データベース: 1696 · 1696-20-4(CAS DataBase Reference)
NISTの化学物質情報: 4 · Morpholine, 4-acetyl-(1696-20-4)
EPAの化学物質情報: 4 · Morpholine, 4-acetyl- (1696-20-4)

化学的性質

化学的特性CLEAR COLOURLESS TO VERY SLIGHTLY YELLOW LIQUID

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Regulatory Information · 2 件

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%)

安全データ

wgk: 1
tsca: TSCA listed
rtecs: QD7000000
hs_code: 29349990
risk_code: 36-62-43
消防法: 危-4-3-III
hazard_code: Xi,Xn
safety_code: 26-36-39-36/37
Hazard Classifications: Repr. 2Skin Sens. 1
ストレージクラス: 10 - Combustible liquids

化学と産業

用途と製造

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

応用分野

用途有機合成原料。

調製方法 · 1 件

純化方法Distil it through an 8inch Fenske (glass helices packing, p 11) column with a manual take-off head. Purify it by fractional distillation. The hydrobromide has m 172-175o. [Brace J Am Chem Soc 75 357 1953, deBenneville et al. J Org Chem 21 1072 1956, Beilstein 27 III/IV 274.]