monoMethyl succinate
4-METHOXY-4-OXOBUTANOIC ACID · METHYL HYDROGEN SUCCINATE · SUCCINIC ACID MONOMETHYL ESTER · Mono-Methyl Succinate 3878-55-5 · AKOS BBB/224 · MONO-METHYL SUCCITE · MONO-METHYL SUCCINAT · Succinic acid 1-methyl
식별자 및 물리적 특성
| CAS No. | 3878-55-5 |
|---|---|
| 분자식 | C5H8O4 |
| 평균 분자량 | 132.11 g/mol |
| 단동위원소 질량 | 132.04225874 g/mol |
| SMILES | COC(=O)CCC(=O)O |
| InChIKey | JDRMYOQETPMYQX-UHFFFAOYSA-N |
| PubChem CID | 77487 |
| ChEBI | CHEBI:75146 |
| EC No. | 223-408-2 |
| DTXSID | DTXSID7044425 |
화학 및 물리적 성질
| XLogP | 0 |
|---|---|
| 극성 표면적 | 63.6 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 9 |
| 형식 전하 | 0 |
| 복잡도 | 118 |
| 물질 분류 | Other Classes -> Organic Acids |
| Physical Description | LiquidWhite to off-white crystals[Acros Organics MSDS] |
| 녹는점 | 54-57 °C(lit.) |
| 끓는 점 | 151 °C20 mm Hg(lit.) |
| 밀도 | 1.0951 (rough estimate) |
| 굴절률 | 1.4240 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| pKa(산도 계수) | 4.42±0.17(Predicted) |
| 물리적 상태 | 수정 또는 수정 덩어리 |
| 색상 | 흰색에서 황백색까지 |
| 용해도 | 물에 약간 용해됩니다. |
| BRN | 1722669 |
| 안정성 | 안정적인. 강한 산화제와 호환되지 않습니다. 타기 쉬운. |
| InChI | InChI=1S/C5H8O4/c1-9-5(8)3-2-4(6)7/h2-3H2,1H3,(H,6,7) |
| InChIKey | JDRMYOQETPMYQX-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)CCC(O)=O |
| EPA | Butanedioic acid, monomethyl ester (3878-55-5) |
화학적 성질
white crystalline powder
안전 및 규제
| GHS 분류 | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Butanedioic acid, 1-methyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Butanedioic acid, 1-methyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711) |
| 유해성 요약 | May cause irritation[Acros Organics MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| 관세 코드 | 29171900 |
| 위험 문구(R) | 36/37/38 |
| 위험 표시 | Xi |
| 안전 문구(S) | 22-24/25 |
| 위험 등급 | IRRITANT |
| 기존화학 물질 | KE-24281 |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
Monomethyl succinate (Mono-Methyl Succinate) is a white crystal under normal temperature, with a fusing point of 56 ℃~ 59 ℃ and a boiling point of 151 ℃; it is dissolved in organic solvents such as alcohol, ether, and benzene, and water-insoluble. Monomethyl succinate is the intermediate of organic synthesis and pharmaceutical synthesis, is also the substrate material producing color candles, and has advantages such as burning is smokeless and odorless. The preparation method is that succinic acid, Succinic anhydried, and methyl alcohol single-esterification produce monomethyl succinate.
용도
Mono-methyl Succinate is one of the substances used in the study of lactobacillus plantarum culture supernatants with potential pro-heating and anti-pathogenic properties in skin chronic wounds