Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
케텐디에틸아세탈
케텐디에틸아세탈 · KETENE DIETHYL ACETAL · 1,1-DIETHOXYETHENE · Ethene, 1,1-diethoxy- · 135338 · 1,1-Diethoxyethen · 1,1-diethoxyethylene · Diethyl ketene acetal
식별자 및 물리적 특성
| CAS No. | 2678-54-8 |
|---|---|
| 분자식 | C6H12O2 |
| 평균 분자량 | 116.16 g/mol |
| 단동위원소 질량 | 116.08372962 g/mol |
| SMILES | C=C(OCC)OCC |
| InChIKey | VTGIVYVOVVQLRL-UHFFFAOYSA-N |
| PubChem CID | 137673 |
| EC No. | 620-977-2 |
| DTXSID | DTXSID50181292 |
| 현지명 | 케텐디에틸아세탈 |
화학 및 물리적 성질
| XLogP | 1.7 |
|---|---|
| 극성 표면적 | 18.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 60 |
| 끓는 점 | 49-50 °C(lit.) |
| 밀도 | 0.880 g/mL at 20 °C(lit.) |
| 굴절률 | n20/D 1.414 |
| 인화점 | 27 °C |
| 저장 조건 | 2-8°C |
| 용해도 | soluble in THF, ether, benzenedecomposes 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 |
안전 및 규제
| GHS 분류 | WarningH226 (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. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | UN 1993 3/PG 3 |
| 위험 문구(R) | 10 |
| 안전 문구(S) | 23 |
용도
용도
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.