1，1ジエトキシエテン

1,1-Diethoxyethene

HCID 137673CAS 2678-54-8

部分構造検索類似構造を探す

基本情報

標準SMILES: C=C(OCC)OCC
InChIKey: VTGIVYVOVVQLRL-UHFFFAOYSA-N
分子式: C6H12O2
平均分子量: 116.16 g/mol
単同位体質量: 116.08372962

名称と識別子

優先名称: 1,1-Diethoxyethene
IUPAC: 1,1-diethoxyethene
現地名: 1，1ジエトキシエテン
英語名: 1,1-diethoxyethylene
分子式: C6H12O2
分子量: 116.16

名称と別名

1,1-DiethoxyetheneRefChem:5926002678-54-8Ketene diethyl acetalEthene, 1,1-diethoxy-1,1-diethoxyethyleneMFCD00467747Ketene diethylacetalKetene, diethyl acetaldiethoxyethylene1,1diethoxyethylene1,1-diethoxy-ethene

名称をさらに表示

1，1ジエトキシエテン1353381,1-DiethoxyethenDiethyl ketene acetal1,1-Diethoxyethene, stabilized2-(1-ethoxypropoxy)ethen-1-oneKETENE DIETHYL ACETAL STAB. WACKER &

1-ethoxy-ethenoxy-ethaneSCHEMBL388497SCHEMBL12115269DTXSID50181292VTGIVYVOVVQLRL-UHFFFAOYSA-NAKOS015949588AS-57084FD181813

データベース識別子

CAS: 2678-54-8
PubChem CID: 137673
DTXSID: DTXSID50181292
EC Number: 620-977-2
Nikkaji: J485.131E

物性

構造計算による物性

XLogP: 1.7
極性表面積: 18.5 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: 4
重原子数: 8
形式電荷: 0
複雑度: 60

物理化学的性質

沸点: 49 · 49-50 °C(lit.)
比重(密度): 0.88 g/mL · 0.880 g/mL at 20 °C(lit.)
屈折率: 20 · n20/D 1.414
闪点: 27 °C · 27 °C
貯蔵温度: 2 · 2-8°C
溶解性: soluble in THF, ether, benzene; decomposes in water, ethanol.
InChI: InChI=1S/C6H12O2/c1-4-7-6(3)8-5-2/h3-5H2,1-2H3
InChIKey: VTGIVYVOVVQLRL-UHFFFAOYSA-N
SMILES: C(OCC)(OCC)=C

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H226 (100%): Flammable liquid and vapor [Warning 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 38 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. 3 (100%)

安全データ

wgk: 3
ridadr: UN 1993 3/PG 3
risk_code: 10
safety_code: 23

化学と産業

応用分野

使用1,1-diethoxyethylene can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.