Grundinformationen
- Standard-SMILES
COC(=O)CCC(=O)O- InChIKey
JDRMYOQETPMYQX-UHFFFAOYSA-N- Summenformel
- C5H8O4
- Durchschnittliche Molmasse
- 132,11 g/mol
- Monoisotopische Masse
- 132,04225874
Überblick
Monomethyl succinate is a dicarboxylic acid monoester that is succinic acid in which one of the carboxy groups has been converted to its methyl ester. It is a hemisuccinate and a dicarboxylic acid monoester.
Namen und Bezeichner
- Bevorzugter Name
- monoMethyl succinate
- IUPAC
- 4-methoxy-4-oxobutanoic acid
- Lokaler Name
- Methylhydrogensuccinat
- Englischer Name
- Mono-methyl succinate
- Summenformel
- C5H8O4
- Molmasse
- 132.11
Namen und Synonyme
4-Methoxy-4-oxobutanoic acid3878-55-5Monomethyl succinateSuccinic acid monomethyl esterMethyl hydrogen succinateSuccinic acid, monomethyl esterButanedioic acid, monomethyl ester3-Carbomethoxypropanoic acidDTXSID7044425YA2V724S0Abutanedioic acid monomethyl esterNSC-511
Weitere Namen anzeigen
Mono-Methyl Succinate 3878-55-5AKOS BBB/224MONO-METHYL SUCCITEMONO-METHYL SUCCINATSuccinic acid 1-methylMonomethyl Butanedioatemono-Methyl succinate,98%
DTXCID5024425CHEBI:75146DL-methylsuccinate3H-methylsuccinateRefChem:819335223-408-2mono-Methyl hydrogen succinateMFCD00002788
Datenbank-Bezeichner
- CAS
3878-55-5- PubChem CID
- 77487
- DTXSID
DTXSID7044425- ChEBI
CHEBI:75146- UNII
- YA2V724S0A
- EC Number
- 223-408-2
- Nikkaji
- J21.755G
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 63,6 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 118
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Organic Acids
Physical Description
Liquid
White to off-white crystals; [Acros Organics MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 54 · 54-57 °C(lit.)
- Siedepunkt
- 151 °C20 · 151 °C20 mm Hg(lit.)
- Dichte
- 1.0951 · 1.0951 (rough estimate)
- Brechungsindex
- 1.424 · 1.4240 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 4.42 · 4.42±0.17(Predicted)
- Aggregatzustand
- Crystals or Crystalline Chunks
- Farbe
- White to off-white
- Wasserlöslichkeit
- Slightly soluble in water.
- BRN
- 1722669 · 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 · 3878-55-5(CAS DataBase Reference)
- EPA chemische Informationen
- Butanedioic acid, monomethyl ester (3878-55-5)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (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.
Gefahrenhinweise
Regulatory Information
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)
Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29171900
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
U.S. Production2023: 1,000,000 - <5,000,000 lb
Industry UsesIntermediate
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
Butanedioic acid, 1-methyl ester: ACTIVE
Anwendungen
BeschreibungMonomethyl 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.
VerwendenMono-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
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Ergänzende Hinweise
DefinitionChEBI: A dicarboxylic acid monoester that is succinic acid in which one of the carboxy groups has been converted to its methyl ester.
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