丙酮酸乙酯

Description

Ethyl pyruvate is identified by CAS 617-35-6, molecular formula C5H8O3 and molecular weight 116.05 g/mol. UNII 03O98E01OB; ChEBI 173421; InChIKey XXRCUYVCPSWGCC-UHFFFAOYSA-N. Boiling Point: 144.00 °C. @ 760.00 mm Hg; Boiling Point: 144 °C; Melting Point: -50 °C.

Identification

CAS Registry Number	617-35-6
PubChem CID	12041
Molecular formula	C5H8O3
Molecular weight	116.05 g/mol
IUPAC name	ethyl 2-oxopropanoate
InChIKey	XXRCUYVCPSWGCC-UHFFFAOYSA-N
UNII (FDA)	03O98E01OB
ChEBI ID	CHEBI:173421
FEMA number	2457
JECFA number	938

Computed Descriptors

Molecular Weight	116.11
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	116.047344113
Monoisotopic Mass	116.047344113
Topological Polar Surface Area	43.4
Heavy Atom Count	8
Formal Charge	0

Physical & Chemical Properties

Boiling Point	144.00 °C. @ 760.00 mm Hg
Boiling Point	144 °C
Melting Point	-50 °C
Density	1.044-1.065
Refractive Index	1.403-1.409

Physical description & handling notes

• Liquid; [Merck Index] Colorless liquid with a pleasant odor; [Alfa Aesar MSDS]
• Liquid
• colourless liquid with a sweet, floral-fruity, warm odour
• slightly soluble in water; soluble in organic solvents, oils
• miscible at room temperature (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Floral No safety concern at current levels of intake when used as a flavouring agent

GHS Hazard Classification

Reported hazard statements	H226

Documented Uses

• Used as a flavoring agent; [FDA]
• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Propanoic acid, 2-oxo-, ethyl ester: ACTIVE
• Investigated for use/treatment in burns and burn infections, cardiac surgery, inflammatory disorders (unspecified), ischemic reperfusion injury, and sepsis and septicemia.
• 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.

Synonyms

ETHYL PYRUVATE; Ethyl 2-oxopropanoate; 617-35-6; Ethyl 2-oxopropionate; Pyruvic acid, ethyl ester; PYRUVIC ACID ETHYL ESTER; Propanoic acid, 2-oxo-, ethyl ester; Ethyl pyroracemate; Ethyl acetylformate; FEMA No. 2457; CTI-01; 2-oxopropanoic acid ethyl ester; Ethyl methylglyoxylate; 2-oxopropionic acid ethyl ester; NSC-48386; DTXSID2060674

Frequently Asked Questions

What are the CAS number and molecular formula of Ethyl pyruvate?

CAS 617-35-6; molecular formula C5H8O3; molecular weight 116.05 g/mol.

What other names is Ethyl pyruvate known by?

ETHYL PYRUVATE, Ethyl 2-oxopropanoate, 617-35-6, Ethyl 2-oxopropionate, Pyruvic acid, ethyl ester, PYRUVIC ACID ETHYL ESTER.

What is the regulatory status of Ethyl pyruvate?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Ethyl pyruvate classified as hazardous?

Hazard statements reported: H226.

What are the key physical properties of Ethyl pyruvate?

Boiling Point: 144.00 °C. @ 760.00 mm Hg; Boiling Point: 144 °C; Melting Point: -50 °C; Density: 1.044-1.065.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.