IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 51 ,1991,p. 443.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Inadequate Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 51 ,1991,p. 443.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Human No Available Data IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 51 ,1991,p. 443.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . Reported in EPA TSCA Inventory.

The Methylglyoxal, with the CAS registry number 78-98-8, is also known as Acetylformaldehyde. It belongs to the product categories of Aldehydes; Blocks; Building Blocks; Aliphatics. Its EINECS registry number is 201-164-8. This chemical's molecular formula is C₃H₄O₂ and molecular weight is 72.06. What's more, both its IUPAC name and systematic name are the same which is called 2-Oxopropanal. It is the aldehyde form of pyruvic acid. It has two carbonyl groups, so it is a dicarbonyl compound. In organisms, this chemical is formed as a side-product of several metabolic pathways. It may form from 3-amino acetone, which is an intermediate of threonine catabolism, as well as through lipid peroxidation. However, the most important source is glycolysis.

Physical properties about Methylglyoxalare:
(1) # of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 14.181; (5)ACD/KOC (pH 7.4): 14.181; (6)#H bond acceptors: 2; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 34.14 Å²; (10)Index of Refraction: 1.364; (11)Molar Refractivity: 16.164 cm³; (12)Molar Volume: 72.494 cm³; (13)Surface Tension: 27.133 dyne/cm; (14)Density: 0.994 g/cm³; (15)Flash Point: 2.468 °C; (16)Enthalpy of Vaporization: 31.343 kJ/mol; (17)Boiling Point: 71.999 °C at 760 mmHg; (18)Vapour Pressure: 120.93 mmHg at 25 °C.

Preparation of Methylglyoxal:
 Methylglyoxal can be prepared by 1-Hydroxy-propan-2-one. This reaction needs reagents O₂, FePO₄ and solvent H₂O at temperature of 200 °C. The yield is 88 %.


Uses of Methylglyoxal:
(1) it is used as medicine, pesticide intermediates and biochemical reagents; (2) it is used to produce other chemicals. For example, it can react with Hydroxyacetaldehyde to get (4-Methyl-1(3)H-imidazol-2-yl)-methanol. The reaction occurs with reagent NH₃ and solvent ethanol at temperature of 40 °C . The yield is 35 %.


Safety Information of Methylglyoxal:
When you are dealing with Methylglyoxal, you should be very careful. This chemical may cause damage to health and cause inflammation to the skin or other mucous membranes. It is irritating to eyes and it is harmful if swallowed. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)C=O
(2) InChI: InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3
(3) InChIKey: AIJULSRZWUXGPQ-UHFFFAOYSA-N

The toxicity data of Methylglyoxal is as follows: