Ethylpyruvat
Ethyl pyruvate
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Grundinformationen
- CAS
617-35-6- Standard-SMILES
CCOC(=O)C(C)=O- InChIKey
XXRCUYVCPSWGCC-UHFFFAOYSA-N- Summenformel
- C5H8O3
- Durchschnittliche Molmasse
- 116,11 g/mol
- Monoisotopische Masse
- 116,04734412
Überblick
Ethyl pyruvate is an oxo carboxylic acid.
Namen und Bezeichner
- Bevorzugter Name
- Ethyl pyruvate
- IUPAC
- ethyl 2-oxopropanoate
- Lokaler Name
- Ethylpyruvat
- Englischer Name
- Ethyl pyruvate
- Summenformel
- C5H8O3
- Molmasse
- 116.12
Namen und Synonyme
ETHYL PYRUVATEEthyl 2-oxopropanoate617-35-6Ethyl 2-oxopropionatePyruvic acid, ethyl esterPYRUVIC ACID ETHYL ESTERPropanoic acid, 2-oxo-, ethyl esterEthyl pyroracemateEthyl acetylformateFEMA No. 2457CTI-012-oxopropanoic acid ethyl ester
Weitere Namen anzeigen
Natural Ethyl pyruvatePAEEFEMA 2457ETHYL 2-OXOPROPRIONATEPropanoicacid,2-oxo-,ethylesterPYR ET
Ethyl methylglyoxylate2-oxopropionic acid ethyl esterNSC-48386DTXSID206067403O98E01OBRefChem:139052DTXCID3043104210-511-2
Datenbank-Bezeichner
- CAS
617-35-6- PubChem CID
- 12041
- DTXSID
DTXSID2060674- ChEMBL
CHEMBL173373- ChEBI
CHEBI:173421- UNII
- 03O98E01OB
- EC Number
- 210-511-2
- Nikkaji
- J1.665I
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 43,4 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 106
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Esters, Other
DrugsPharmaceuticals -> Listed in ZINC15
SpringerMaterials PropertiesChemical shift
FragrancesFragrance Ingredient (Ethyl pyruvate) -> IFRA transparency List
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.044-1.065
Flavoring AgentsEU Flavoring substances
Solubility
slightly soluble in water; soluble in organic solvents, oils
miscible at room temperature (in ethanol)
Boiling Point
144.00 °C. @ 760.00 mm Hg
144 °C
Melting Point
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 (> 99.9%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 1612 reports by companies from 10 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: Propanoic acid, 2-oxo-, ethyl ester
Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Status: Active Update: 03-10-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/26714
Ethyl pyruvate: Does not have an individual approval but may be used under an appropriate group standard
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Alfa Aesar MSDS] See Pyruvic acid.
Hazard Classes and CategoriesFlam. Liq. 3 (> 99.9%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 3272 3/PG 3
- hs_code
- 29183000
- risk_code
- 10
- Toxizität
- LD50 orally in Rabbit: > 2000 mg/kg LD50 dermal Rat > 2000 mg/kg
- hazard_code
- Xi,F
- hazard_note
- Flammable/Irritant
Chemie und Industrie
Pharmakologische Informationen
Mechanism of Action
CTI-01 inhibits the systemic release of cytokines, such as TNF-alpha and HMGB1, which promote the body's inflammatory response. The over-expression of these cytokines has been linked to diseases that occur in critical care settings, such as severe organ damage following cardiopulmonary bypass (CPB) and post-operative ileus following abdominal surgery.
Verwendung und Herstellung
UsesUsed as a flavoring agent; [FDA]
Use Classification
Fragrance Ingredients
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
General Manufacturing InformationPropanoic acid, 2-oxo-, ethyl ester: ACTIVE
Anwendungen
OccurrenceReported found in Parmesan cheese, cognac, grape wines, cocoa and mushrooms.
VerwendenEthyl pyruvate (EP) has demonstrated neuroprotective effects against acute brain injury through its anti-inflammatory action.
Darstellung
synthetischeBy direct esterification of pyruvic acid with absolute ethyl alcohol at the boil and subsequent vacuum distillation; by esterification via oxidation of vapors of ethyl lactate in the presence of V2O5 at 155°C
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