Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
tert-Butyl ethyl malonate
Maloni · TERT-BUTYL ETHYL MAL · T-BUTYL ETHYL MALONATE · t-Butyl ethyl nalonate · TERT-BUTYL ETHYL MALOTE · tert-Buty ethyl malonate · ETHYL TERT-BUTYL MALONATE · TERT-BUTYL ETHYL MALONATE
식별자 및 물리적 특성
| CAS No. | 32864-38-3 |
|---|---|
| 분자식 | C9H16O4 |
| 평균 분자량 | 188.22 g/mol |
| 단동위원소 질량 | 188.10485899 g/mol |
| SMILES | CCOC(=O)CC(=O)OC(C)(C)C |
| InChIKey | OCOBFMZGRJOSOU-UHFFFAOYSA-N |
| PubChem CID | 96345 |
| EC No. | 251-269-8 |
| DTXSID | DTXSID40186519 |
화학 및 물리적 성질
| XLogP | 1.5 |
|---|---|
| 극성 표면적 | 52.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 13 |
| 형식 전하 | 0 |
| 복잡도 | 190 |
| 끓는 점 | 83-85 °C/8 mmHg (lit.) |
| 밀도 | 0.994 g/mL at 25 °C (lit.) |
| 굴절률 | n20/D 1.416(lit.) |
| 인화점 | 189 °F |
| 저장 조건 | Inert atmosphere,Room Temperature |
| 물리적 상태 | 투명한 액체 |
| pKa(산도 계수) | 11.86±0.46(Predicted) |
| 색상 | 무색 내지 거의 무색 |
| 용해도 | 가장 일반적인 용매와 혼합 가능합니다. 물과 섞이지 않습니다. |
| BRN | 1776681 |
| InChI | InChI=1S/C9H16O4/c1-5-12-7(10)6-8(11)13-9(2,3)4/h5-6H2,1-4H3 |
| InChIKey | OCOBFMZGRJOSOU-UHFFFAOYSA-N |
| SMILES | C(OC(C)(C)C)(=O)CC(OCC)=O |
| NIST | tert-Butyl ethyl malonate(32864-38-3) |
화학적 성질
Clear colorless liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).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. |
|---|---|
| 규제 정보 | Chemical: Propanedioic acid, 1,1-dimethylethyl ethyl esterPropanedioic acid, 1,1-dimethylethyl ethyl ester: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | Evaluation - Chemicals that are unlikely to require further regulation to manage risks to human health |
| Hazard Classes and Categories | Skin Irrit. 2 (50%)Eye Irrit. 2A (50%)STOT SE 3 (50%) |
| 수질 위해 등급(WGK) | 3 |
| 운송 번호(UN) | NA 1993 / PGIII |
| 관세 코드 | 29171900 |
| 안전 문구(S) | 23-24/25 |
| 위험 등급 | CBL |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
tert-Butyl ethyl malonate is used in the preparation of polar ester-functionalized aliphatic polysulfone. It is also a useful reagent for organic synthesis.