2-エトキシオキソラン

Tetrahydro-2-hydroxyfuran

HCID 93002CAS 13436-46-9

部分構造検索類似構造を探す

基本情報

標準SMILES: OC1CCCO1
InChIKey: JNODDICFTDYODH-UHFFFAOYSA-N
分子式: C4H8O2
平均分子量: 88.11 g/mol
単同位体質量: 88.05242949

名称と識別子

優先名称: Tetrahydro-2-hydroxyfuran
IUPAC: oxolan-2-ol
現地名: 2-エトキシオキソラン
英語名: 2-ETHOXYTETRAHYDROFURAN
分子式: C6H12O2
分子量: 116.16

名称と別名

2-Hydroxytetrahydrofuran5371-52-8Tetrahydro-2-furanol2-Furanol, tetrahydro-Tetrahydro-2-hydroxyfuranV8YVV52DLWCHEBI:19662RefChem:87621236-569-9tetrahydrofuran-2-oloxolan-2-oltetrahydrofuryl alcohol

名称をさらに表示

(±)-2-エトキシテトラヒドロフラン2-エトキシオキソラン2-エトキシテトラヒドロフランrac-(R*)-2-エトキシテトラヒドロフラン2-ethoxyoxolaneEinecs 236-569-92-ETHOXYTETRAHYDROFURANFuran, 2-ethoxytetrahydro-2-Ethoxytetrahydrofuran 99%

MFCD073694572-hydroxy-tetrahydrofuran.alpha.-HydroxytetrahydrofuranDTXSID50968469AKOS006286535AS-57322SY016132CS-0197674

データベース識別子

CAS: 13436-46-9、5371-52-8
PubChem CID: 93002
DTXSID: DTXSID50968469
ChEBI: CHEBI:19662
UNII: V8YVV52DLW
EC Number: 236-569-9
Nikkaji: J131.583H

物性

構造計算による物性

XLogP: 0
極性表面積: 29.5 Å²
水素結合供与体数: 1
水素結合受容体数: 2
回転可能結合数: 0
重原子数: 6
形式電荷: 0
複雑度: 44

物理化学的性質

沸点: 170 · 170-172 °C (lit.)
比重(密度): 0.908 g/mL · 0.908 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.414(lit.)
闪点: 61 °F · 61 °F
外見: liquid
InChI: 1S/C6H12O2/c1-2-7-6-4-3-5-8-6/h6H,2-5H2,1H3
InChIKey: JQYYUWHWGCJWTN-UHFFFAOYSA-N
SMILES: CCOC1CCCO1
LogP: 0.13 · 0.130 (est)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 2
risk_code: 11
hazard_code: F
safety_code: 16-29-33
hazard_class: 3.1
packing_group: II
Hazard Classifications: Flam. Liq. 2
ストレージクラス: 3 - Flammable liquids

化学と産業

応用分野 · 2 件

使用2-Ethoxytetrahydrofuran was used to investigate quantitative, regioselective, O-acylative cleavage of tetrahydrofurans using organic acid halides in the presence of Bi(III) halides.

一般的な説明2-Ethoxytetrahydrofuran undergoes Ln(OTf)3-catalyzed-Povarov coupling reaction with anilines and cyclopentadiene to yield tetrahydroquinolines. Transacetalization of 2-ethoxytetrahydrofuran with various alcohols catalyzed by Fe(ClO4)3 has been reported.