에톡시에틴
에톡시에틴 · ETHOXYACETYLENE · ETHYL ETHYNYL ETHER · 1-Ethoxyacetylene · Ethynyl ethyl ether · ethoxy-ethyn · ETHOXYETHYNE · EthoxyacetyL
식별자 및 물리적 특성
| CAS No. | 927-80-0 |
|---|---|
| 분자식 | C4H6O |
| 평균 분자량 | 70.09 g/mol |
| 단동위원소 질량 | 70.04186481 g/mol |
| SMILES | C#COCC |
| InChIKey | WMYNMYVRWWCRPS-UHFFFAOYSA-N |
| PubChem CID | 61239 |
| EC No. | 213-164-5 |
| DTXSID | DTXSID80239114 |
| 현지명 | 에톡시에틴 |
화학 및 물리적 성질
| XLogP | 1.1 |
|---|---|
| 극성 표면적 | 9.2 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 1 |
| 회전 가능 결합 수 | 2 |
| 무거운 원자 수 | 5 |
| 형식 전하 | 0 |
| 복잡도 | 47.9 |
| 물질 분류 | Flammable agents - 3rd degree |
| SpringerMaterials Properties | Dielectric constant |
| 끓는 점 | 53°C |
| 밀도 | 0.732 g/mL at 25 °C |
| 굴절률 | n20/D 1.379 |
| 인화점 | −20 °F |
| 저장 조건 | 2-8°C |
| 용해도 | sol alcohol, ether, benzene, hexane |
| 물리적 상태 | 액체 |
| 색상 | 맑은 노란색 |
| 용해도 | 물과 약간 섞임. |
| BRN | 741882 |
| 유전율 | 8.0500000000000007 |
| InChI | InChI=1S/C4H6O/c1-3-5-4-2/h1H,4H2,2H3 |
| InChIKey | WMYNMYVRWWCRPS-UHFFFAOYSA-N |
| SMILES | C#COCC |
| NIST | Ethoxyacetylene(927-80-0) |
화학적 성질
Clear orange to brown solution
안전 및 규제
| GHS 분류 | 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. |
|---|---|
| 규제 정보 | 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 |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | KN9900000 |
| 운송 번호(UN) | UN 1993 3/PG 2 |
| 관세 코드 | 29091990 |
| 위험 문구(R) | 11-38-48/20-51/53-62-65-67-36/37/38-36/38 |
| 위험 표시 | F,Xn,N |
| 안전 문구(S) | 16-36/37-61-62-45-36/37/39-26-33-29-9 |
| 포장분류 | II |
| 위험 등급 | 3Aquatic Chronic 2Asp. Tox. 1Flam. Liq. 2Repr. 2Skin Irrit. 2STOT RE 2 InhalationSTOT SE 3 |
| 기존화학 물질 | KE-14090 |
| 위험 참고 사항 | Highly Flammable/Keep Cold |
| 저장 분류 | 3 - Flammable liquids |
용도
용도
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.
제조 및 합성 방법
제조 방법
Ethoxyethyne can be prepared from chloroacetaldehyde diethyl acetal (70%).