基本情報
- CAS
927-80-0- 標準SMILES
C#COCC- InChIKey
WMYNMYVRWWCRPS-UHFFFAOYSA-N- 分子式
- C4H6O
- 平均分子量
- 70.09 g/mol
- 単同位体質量
- 70.04186481
名称と識別子
- 優先名称
- Ether, ethyl ethynyl
- IUPAC
- ethynoxyethane
- 現地名
- 1-エトキシアセチレン
- 英語名
- Ethoxyethyne
- 分子式
- C4H6O
- 分子量
- 70.09
名称と別名
名称をさらに表示
データベース識別子
- CAS
927-80-0- PubChem CID
- 61239
- DTXSID
DTXSID80239114- UNII
- B8RFM34GMK
- EC Number
- 213-164-5
- Nikkaji
- J149.801K
物性
構造計算による物性
- XLogP
- 1.1
- 極性表面積
- 9.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 2
- 重原子数
- 5
- 形式電荷
- 0
- 複雑度
- 47.9
実験および物理化学的性質
物理化学的性質
- 沸点
- 53 °C · 53°C
- 比重(密度)
- 0.732 g/mL · 0.732 g/mL at 25 °C
- 屈折率
- 20 · n20/D 1.379
- 闪点
- 20 °F · −20 °F
- 貯蔵温度
- 2 · 2-8°C
- 溶解性
- sol alcohol, ether, benzene, hexane
- 外見
- liquid
- 色
- Clear Yellow
- 水溶解度
- 水とわずかに混和する。
- BRN
- 741882 · 741882
- Dielectric constant
- 8.05 · 8.0500000000000007
- InChI
- InChI=1S/C4H6O/c1-3-5-4-2/h1H,4H2,2H3
- InChIKey
- WMYNMYVRWWCRPS-UHFFFAOYSA-N
- SMILES
- C#COCC
- CAS データベース
- 927 · 927-80-0(CAS DataBase Reference)
- NISTの化学物質情報
- Ethoxyacetylene(927-80-0)
化学的性質
化学的特性Clear orange to brown solution
安全と法規制
GHS分類
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P271, P273, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P318, P319, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Ethyne, ethoxy-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Hazard Classes and Categories
Flam. Liq. 2 (100%)
Flammable agents - 3rd degree, Reactive agents - 3rd degree
安全データ
- wgk
- 3
- rtecs
- KN9900000
- ridadr
- UN 1993 3/PG 2
- PRTR法
- 1-392
- hs_code
- 29091990
- risk_code
- 11-38-48/20-51/53-62-65-67-36/37/38-36/38
- 安衛法
- 有機溶剤中毒予防規則:第2種有機溶剤,57,57-2
- 消防法
- 危-4-1-II
- hazard_code
- F,Xn,N
- hazard_note
- Highly Flammable/Keep Cold
- safety_code
- 16-36/37-61-62-45-36/37/39-26-33-29-9
- hazard_class
- 3
- packing_group
- II
- Hazard Classifications
- Aquatic Chronic 2Asp. Tox. 1Flam. Liq. 2Repr. 2Skin Irrit. 2STOT RE 2 InhalationSTOT SE 3
- ストレージクラス
- 3 - Flammable liquids
化学と産業
応用分野
使用Ethoxyacetylene is used in Arens-van Dorp synthesis to prepare propargyl alcohol via reaction with ketone. In organic synthesis, it undergoes [2+2] cycloaddition reactions with ketenes to give cyclobutenone derivatives. It is also used to prepare alpha, beta-unsaturated esters from ketones by following Meyer-Schuster rearrangement.Used with N-vinylamides and triflic anhydride in a direct, three-component synthesis of pyridines. Also used to prepare α, β-unsaturated esters from ketones via a Meyer-Schuster rearrangement.
調製方法
製造方法Ethoxyethyne can be prepared from chloroacetaldehyde diethyl acetal (70%).
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