Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
디-터트-부틸옥살산염
디-터트-부틸옥살산염 · Di-t-butyl Oxalate · itert-butyloxalate · Di-tert-butyl oxalate · di-tert-butylacidester · Di-tert-butyl oxalate 99% · ditert-butyl ethanedioate · Di-tert-butyl oxalate, 97%
식별자 및 물리적 특성
| CAS No. | 691-64-5 |
|---|---|
| 분자식 | C10H18O4 |
| 평균 분자량 | 202.25 g/mol |
| 단동위원소 질량 | 202.12050905 g/mol |
| SMILES | CC(C)(C)OC(=O)C(=O)OC(C)(C)C |
| InChIKey | CIYGMWIAXRMHQS-UHFFFAOYSA-N |
| PubChem CID | 69651 |
| EC No. | 211-723-8 |
| DTXSID | DTXSID20219157 |
| 현지명 | 디-터트-부틸옥살산염 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 52.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 203 |
| 녹는점 | 69-72 °C (lit.) |
| 끓는 점 | 229 °C |
| 밀도 | 1.007±0.06 g/cm3(Predicted) |
| 저장 조건 | 2-8°C |
| BRN | 1774415 |
| InChI | 1S/C10H18O4/c1-9(2,3)13-7(11)8(12)14-10(4,5)6/h1-6H3 |
| InChIKey | CIYGMWIAXRMHQS-UHFFFAOYSA-N |
| SMILES | CC(C)(C)OC(=O)C(=O)OC(C)(C)C |
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.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 | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%) |
| 수질 위해 등급(WGK) | 3 |
| 위험 문구(R) | 36/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 26-36 |
| 위험 등급 | Eye Irrit. 2Skin Irrit. 2 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Di-tert-butyl oxalate was used in preparation of disodium salt of 2-[(dihydroxyphosphinyl) difluoromethyl] propenoic acid.
일반 설명
Di-tert-butyl oxalate is an ester.