Methylpyruvat
Methyl pyruvate
Grundinformationen
- CAS
600-22-6- Standard-SMILES
COC(=O)C(C)=O- InChIKey
CWKLZLBVOJRSOM-UHFFFAOYSA-N- Summenformel
- C4H6O3
- Durchschnittliche Molmasse
- 102,09 g/mol
- Monoisotopische Masse
- 102,03169405
Überblick
Methyl pyruvate is a pyruvate ester resultinf grom the formal condensation of the carboxy group of pyruvic acid with the hydroxy group of methanol. It is a methyl ester and a pyruvate ester. It is functionally related to a pyruvic acid.
Namen und Bezeichner
- Bevorzugter Name
- Methyl pyruvate
- IUPAC
- methyl 2-oxopropanoate
- Lokaler Name
- Methylpyruvat
- Englischer Name
- Methyl pyruvate
- Summenformel
- C4H6O3
- Molmasse
- 102.09
Namen und Synonyme
METHYL PYRUVATE600-22-6Methyl 2-oxopropanoateMethyl 2-oxopropionatePyruvic acid, methyl esterPropanoic acid, 2-oxo-, methyl esterMethylglyoxylic acid methyl ester2-oxo-propionic acid methyl ester3KJM65G5XLNSC-65430CHEBI:51850RefChem:818068
Weitere Namen anzeigen
PAMEksbyPYR MEMethyl pyruyateMethylPyruvate>Methylpyruvate,96%
209-987-4MethylpyruvatePyruvic acid methyl esterDTXSID9049326methyl-Pyruvate2-oxopropanoic acid methyl esterTiapride IntermediatesMETHYL ACETOFORMATE
Datenbank-Bezeichner
- CAS
600-22-6- PubChem CID
- 11748
- DTXSID
DTXSID9049326- ChEMBL
CHEMBL3185405- ChEBI
CHEBI:51850- UNII
- 3KJM65G5XL
- EC Number
- 209-987-4
- Nikkaji
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0
- Polarare Oberfläche (TPSA)
- 43,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 7
- Formalladung
- 0
- Komplexität
- 95,1
Experimentelle und physikochemische Eigenschaften
SpringerMaterials PropertiesChemical shift
Flavoring AgentsEU Flavoring substances
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physikochemische Eigenschaften
- Schmelzpunkt
- -22 °C · -22 °C
- Siedepunkt
- 134 · 134-137 °C (lit.)
- Dichte
- 1.13 g/mL · 1.13 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.404(lit.)
- Flammpunkt
- 103 °F · 103 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- 1.1 g/10 · ethanol: soluble1.1g/10 mL, clear, colorless to almost colorless
- Aggregatzustand
- liquid
- Farbe
- Yellow
- Wasserlöslichkeit
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H226 (92.3%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P319, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 52 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, 2-oxo-, methyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
REACH registered substance: Methyl pyruvate (EC: 209-987-4)
Propanoic acid, 2-oxo-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 3 (92.3%)
Sicherheitsdaten
- F
- 10-21
- wgk
- 3
- ridadr
- UN 3272 3/PG 3
- hs_code
- 29183000
- risk_code
- 10
- hazard_code
- Xi,F
- safety_code
- 23-24/25-16
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
Chemie und Industrie
Anwendungen
VerwendenMethyl Pyruvate acts as a potent secretagogue used in the study of stimulus-secretion coupling. Also used in the preparation of quinoxalines as dual phoosphodiesterase 2/10 (PDE2/10) inhibitors. It increases free calcium ion concentration in the cytosol of pancreatic cells. It is used in the preparation of dimethyl 2,3-dimethylenebutanedioate.
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Zugehörige Reaktionen
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