Ethylpyruvat

Ethyl pyruvate

HCID 12041CAS 617-35-6
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Grundinformationen

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 Struktureigenschaften

XLogP
0,4
Polarare Oberfläche (TPSA)
43,4 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
8

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

Physikochemische Eigenschaften

Schmelzpunkt
-58 °C · -58 °C
Siedepunkt
144 °C · 144 °C (lit.)
Dichte
1.045 g/mL · 1.045 g/mL at 25 °C (lit.)
Dampfdruck
2.36 hPa · 2.36hPa at 25℃
Brechungsindex
20 · n20/D 1.404(lit.)
FEMA
2457 · 2457 | ETHYL PYRUVATE

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 4 Einträge

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

Chemie und Industrie

Pharmakologische Informationen

Mechanism of Action · 1 Eintrag

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 · 6 Einträge

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

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

5-Bromoindole-2-carboxylic acid5-TERT-BUTYL-1H-INDOLE-2-CARBOXYLIC ACID ETHYL ESTER2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carbonitrileIndol-5-ylamin1-METHYL-5-NITRO-1H-INDOLE2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxamide(2-(4-Methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-4-yl)methanamine5-NitroindolEthyl 2-(4-hydroxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxylateEthyl 2-(4-(ethoxycarbonyl)piperidin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxylateEthyl 2-(4-(hydroxymethyl)piperidin-1-yl)-6-(trifluoromethyl)pyrimidine-4-carboxylateEthyl 5-nitroindole-2-carboxylate

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通小竹生物医药有限公司18015606981 · [email protected]

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