Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
디메틸메틸말로네이트
디메틸메틸말로네이트 · Dimethyl 2-methylmalonate · Dimethyl isosuccinate · dimethyl 2-methylpropanedioate · Ethylidenebis(formic acid methyl) ester · Propanedioic acid, methyl-, dimethyl ester · DIMETHYL METHYLMALONATE · Isosuccinic acid dimethyl
식별자 및 물리적 특성
| CAS No. | 609-02-9 |
|---|---|
| 분자식 | C6H10O4 |
| 평균 분자량 | 146.14 g/mol |
| 단동위원소 질량 | 146.0579088 g/mol |
| SMILES | COC(=O)C(C)C(=O)OC |
| InChIKey | LRBPFPZTIZSOGG-UHFFFAOYSA-N |
| PubChem CID | 69104 |
| EC No. | 210-173-6 |
| DTXSID | DTXSID5060564 |
| 현지명 | 디메틸메틸말로네이트 |
화학 및 물리적 성질
| XLogP | 0.7 |
|---|---|
| 극성 표면적 | 52.6 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 10 |
| 형식 전하 | 0 |
| 복잡도 | 125 |
| SpringerMaterials Properties | Density |
| 끓는 점 | 176-177 °C(lit.) |
| 밀도 | 1.098 g/mL at 25 °C(lit.) |
| 증기압 | 0.2 mm Hg ( 20 °C) |
| 굴절률 | n20/D 1.414(lit.) |
| 인화점 | 169 °F |
| 저장 조건 | Sealed in dry,Room Temperature |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 13.08±0.46(Predicted) |
| 비중 | approximate 1.10 (20℃) |
| 색상 | 무색 |
| InChI | InChI=1S/C6H10O4/c1-4(5(7)9-2)6(8)10-3/h4H,1-3H3 |
| InChIKey | LRBPFPZTIZSOGG-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C(C)C(OC)=O |
| NIST | Propanedioic acid, methyl-, dimethyl ester(609-02-9) |
| EPA | Propanedioic acid, methyl-, dimethyl ester (609-02-9) |
화학적 성질
colorless to clear liquid
안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH227 (50%): Combustible liquid [Warning Flammable liquids]P210, 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, P370+P378, P403, 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. |
|---|---|
| Hazard Classes and Categories | Flam. Liq. 4 (50%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 2917198090 |
| 기존화학 물질 | KE-24867 |
| 저장 분류 | 10 - Combustible liquids |
용도
용도
Dimethyl methylmalonate is a versatile compound with multiple uses in the chemical industry. It is a key ingredient in the synthesis of flavours and other organic compounds.
일반 설명
Dimethyl methylmalonate is an ester. Microwave-enhanced Pd(0)/acetic acid catalyzed allylation of C, N and O-nucleophiles with dimethyl methylmalonate has been reported.