Pyruvic acid - CAS 127-17-3

Technical Data

IUPAC Name:	2-oxopropanoic acid
Description:	Pyruvic acid (CAS# 127-17-3) is converted to acetaldehyde and CO2 by carboxylase. In muscle, Pyruvic acid (derived from glycogen) is reduced to lactic acid during exertion, which is reoxidized and partially retransformed to glycogen during rest. The liver can convert Pyruvic acid to alanine by amination. A diagnostic agent for Parkinson disease.
Molecular Weight:	88.06
Molecular Formula:	C3H4O3
Canonical SMILES:	CC(=O)C(=O)O
InChI:	InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
InChI Key:	LCTONWCANYUPML-UHFFFAOYSA-N
Boiling Point:	186.79 ℃ (EPI 4.0)
Melting Point:	11.8°C
Flash Point:	82°C
Purity:	95.0 %
Density:	1.25 g/cm³
Solubility:	Soluble in water and alcohol.
Appearance:	Light yellow liquid
Storage:	Store tightly sealed under inert gas below 0 deg. C
MDL:	MFCD00002585
LogP:	-0.34000
Refractive Index:	1.423 : 1.433 at 20 deg C
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents, strong bases. Refrigerate.
Vapor Pressure:	1.29 [mmHg]

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
31704469	20200301	Technical-grade chlordane compromises rat Sertoli cells proliferation, viability and metabolic activity	Toxicology in vitro : an international journal published in association with BIBRA
31170414	20190815	Non-monotonic dose-response effects of arsenic on glucose metabolism	Toxicology and applied pharmacology
30448556	20190301	Overexpression of HIF-1a could partially protect K562 cells from 1,4-benzoquinone induced toxicity by inhibiting ROS, apoptosis and enhancing glycolysis	Toxicology in vitro : an international journal published in association with BIBRA
30115664	20181101	Preclinical Efficacy of the Novel Monocarboxylate Transporter 1 Inhibitor BAY-8002 and Associated Markers of Resistance	Molecular cancer therapeutics
30038219	20180901	Metformin inhibits gluconeogenesis via a redox-dependent mechanism in vivo	Nature medicine

Complexity:	84
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	88.016043985
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	88.016043985
Rotatable Bond Count:	1
Topological Polar Surface Area:	54.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3