Methylglyoxal

C₃H₄O₂CAS 78-98-872.06 g/mol

Open in Covalent MOL file

Aldehyde Ketone

Properties

Molecular formula: C₃H₄O₂
Molar mass: 72.06 g/mol
Exact mass: 72.0211 Da
Density: 1.0455 g/mL (at 24 °C)
Melting point: below 25 °C
Boiling point: 72 °C
Water solubility: ≥ 100 g/L (17.2 °C)
logP: -0.23Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Danger

H290 May be corrosive to metals39.4% of notifiers
H302 Harmful if swallowed96% of notifiers
H315 Causes skin irritation40.1% of notifiers
H317 May cause an allergic skin reaction40.5% of notifiers
H318 Causes serious eye damage40.5% of notifiers
H319 Causes serious eye irritation54% of notifiers
H335 May cause respiratory irritation40.1% of notifiers
H341 Suspected of causing genetic defects42.3% of notifiers

Aggregated from 274 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P234, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P390, P403+P233, P405, P406, P501

Identifiers

CAS number

78-98-8

SMILES

CC(=O)C=O

InChIKey

AIJULSRZWUXGPQ-UHFFFAOYSA-N

InChI

InChI=1S/C3H4O2/c1-3(5)2-4/h2H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

12 names

Propanal, 2-oxo-
Pyruvaldehyde
2-Oxopropanal
Acetylformaldehyde
Acetylformyl
α-Ketopropionaldehyde
Pyroracemic aldehyde
Pyruvic aldehyde
2-Ketopropionaldehyde
2-Oxopropionaldehyde
NSC 626580
NSC 79019

Work with Methylglyoxal

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Mesityl oxide141-79-745 % similar Methyl propenyl ketone3102-33-845 % similar 3-Penten-2-one625-33-245 % similar Methyl vinyl ketone78-94-445 % similar 4-Amino-3-penten-2-one1118-66-739 % similar 2-Oxopropanal 1-oxime306-44-539 % similar Isonitrosoacetone31915-82-939 % similar Methacrolein78-85-338 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Beta-propiolactone57-57-8 3-Oxetanone6704-31-0 Vinyl formate692-45-5 Glycidaldehyde765-34-4 Acrylic acid79-10-7 Polyacrylic acid9003-01-4

Elsewhere

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