Methylhydrogensuccinat
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
Identifikatoren & physikalische Daten
| CAS No. | 3878-55-5 |
|---|---|
| Summenformel | C5H8O4 |
| Durchschnittliche Molmasse | 132,11 g/mol |
| Monoisotopische Masse | 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 |
| Lokaler Name | Methylhydrogensuccinat |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 63,6 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 118 |
| Stoffklassen | Other Classes -> Organic Acids |
| Physical Description | LiquidWhite to off-white crystals[Acros Organics MSDS] |
| Schmelzpunkt | 54-57 °C(lit.) |
| Siedepunkt | 151 °C20 mm Hg(lit.) |
| Dichte | 1.0951 (rough estimate) |
| Brechungsindex | 1.4240 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 4.42±0.17(Predicted) |
| Aggregatzustand | Crystals or Crystalline Chunks |
| Farbe | White to off-white |
| Löslichkeit | Slightly soluble in water. |
| BRN | 1722669 |
| Stabilität | Stable. Incompatible with strong oxidizing agents. Combustible. |
| 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 |
| CAS Datenbank | 3878-55-5(CAS DataBase Reference) |
| EPA chemische Informationen | Butanedioic acid, monomethyl ester (3878-55-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | 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. |
|---|---|
| Regulatorische Informationen | 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) |
| Gefahrenübersicht | May cause irritation[Acros Organics MSDS] |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29171900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
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.
Verwenden
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