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1-エトキシアセチレン
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識別子と物理属性
| CAS No. | 927-80-0 |
|---|---|
| 分子式 | C4H6O |
| 平均分子量 | 70.09 g/mol |
| 単同位体質量 | 70.04186481 g/mol |
| SMILES | C#COCC |
| InChIKey | WMYNMYVRWWCRPS-UHFFFAOYSA-N |
| PubChem CID | 61239 |
| EC No. | 213-164-5 |
| DTXSID | DTXSID80239114 |
| 現地名 | 1-エトキシアセチレン |
化学・物理的性質
| XLogP | 1.1 |
|---|---|
| 極性表面積 | 9.2 |
| 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 |
| 物質分類 | Flammable agents - 3rd degree |
| SpringerMaterials Properties | Dielectric constant |
| 沸点 | 53°C |
| 密度 | 0.732 g/mL at 25 °C |
| 屈折率 | n20/D 1.379 |
| 引火点 | −20 °F |
| 貯蔵条件 | 2-8°C |
| 溶解度 | sol alcohol, ether, benzene, hexane水とわずかに混和する。 |
| 外観・状態 | liquid |
| 色 | Clear Yellow |
| BRN | 741882 |
| 誘電率 | 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 | 927-80-0(CAS DataBase Reference) |
| NISTの化学物質情報 | Ethoxyacetylene(927-80-0) |
化学的特性
Clear orange to brown solution
安全性と法規制
| GHS 分類 | DangerH225 (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. |
|---|---|
| 規制情報 | 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 |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | KN9900000 |
| 輸送番号（UN） | UN 1993 3/PG 2 |
| PRTR法 | 1-392 |
| 税関コード | 29091990 |
| 危険文句（R） | 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 |
| 危険表示 | F,Xn,N |
| hazard_note | Highly Flammable/Keep Cold |
| 安全措置（S） | 16-36/37-61-62-45-36/37/39-26-33-29-9 |
| 危険等級 | 3Aquatic Chronic 2Asp. Tox. 1Flam. Liq. 2Repr. 2Skin Irrit. 2STOT RE 2 InhalationSTOT SE 3 |
| 包装等級 | II |
用途
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.
製法・合成法
製造方法
Ethoxyethyne can be prepared from chloroacetaldehyde diethyl acetal (70%).