Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
모노메틸말로네이트
모노메틸말로네이트 · 3-methoxy-3-oxopropanoic acid · Methyl hydrogen malonate · 3-methoxy-3-oxopropanoate · AURORA KA-6464 · 1-Methyl malonate · monmethyl malonate · Monomethyl malonate
식별자 및 물리적 특성
| CAS No. | 16695-14-0 |
|---|---|
| 분자식 | C4H6O4 |
| 평균 분자량 | 118.09 g/mol |
| 단동위원소 질량 | 118.02660867 g/mol |
| SMILES | COC(=O)CC(=O)O |
| InChIKey | PBVZQAXFSQKDKK-UHFFFAOYSA-N |
| PubChem CID | 538366 |
| ChEBI | CHEBI:184595 |
| EC No. | 681-348-6 |
| DTXSID | DTXSID401347001 |
| 현지명 | 모노메틸말로네이트 |
화학 및 물리적 성질
| XLogP | -0.4 |
|---|---|
| 극성 표면적 | 63.6 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 8 |
| 형식 전하 | 0 |
| 복잡도 | 107 |
| 끓는 점 | 232℃ |
| 밀도 | 1.128 |
| 굴절률 | 1.428 |
| 인화점 | 104℃ |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | solid |
| pKa(산도 계수) | 2.83±0.32(Predicted) |
| InChI | 1S/C4H6O4/c1-8-4(7)2-3(5)6/h2H2,1H3,(H,5,6) |
| InChIKey | PBVZQAXFSQKDKK-UHFFFAOYSA-N |
| SMILES | COC(=O)CC(O)=O |
화학적 성질
Clear Liquid
안전 및 규제
| GHS 분류 | WarningH302 (28.6%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (85.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 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 | Acute Tox. 4 (28.6%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (85.7%) |
| 수질 위해 등급(WGK) | WGK 3 |
| 관세 코드 | 29161900 |
| 위험 문구(R) | 36/37/38 |
| 안전 문구(S) | 26-37 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
Lactonization of olefins with monomethyl ester of malonic acid and ceric ammonium nitrate was carried out in acetic acid and in acetonitrile under simple mechanical stirring or ultrasound irradiation. Lactonization of olefins with CAN and monomethyl ester of malonic acid under ultrasound irradiation shows an acceleration with respect to the analogous mechanically stirred reaction.