Pyruvic aldehyde dimethyl acetal

C5H10O3CAS 6342-56-9118.13 g/mol

Open in Covalent MOL file
OOO
AcetalEtherKetone

Properties

Molecular formula
C5H10O3
Molar mass
118.13 g/mol
Exact mass
118.0630 Da
Boiling point
56–58 °C (at 16 Torr)
logP
0.19Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Flammable (GHS02)Irritant (GHS07)

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
6342-56-9
SMILES
COC(OC)C(C)=O
InChIKey
ULVSHNOGEVXRDR-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O3/c1-4(6)5(7-2)8-3/h5H,1-3H3

Weigh it out

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

Names and synonyms

9 names
  • 2-Propanone, 1,1-dimethoxy-
  • Pyruvaldehyde, 1-(dimethyl acetal)
  • 1,1-Dimethoxy-2-propanone
  • Pyruvaldehyde dimethyl acetal
  • Methylglyoxal dimethyl acetal
  • Dimethoxymethyl methyl ketone
  • 1,1-Dimethoxyacetone
  • NSC 50127
  • Methylglyoxal 1,1-dimethyl acetal

Work with Pyruvic aldehyde dimethyl acetal

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl dimethoxyacetate89-91-846 % similar Methyl 2-acetyl-3-oxobutanoate4619-66-342 % similar Methyl isopropyl ketone563-80-441 % similar 3-Methyl-2,4-pentanedione815-57-641 % similar 3-Chloro-2,4-pentanedione1694-29-739 % similar 1,1-Difluoro-2-propanone431-05-039 % similar 1,1-Dichloroacetone513-88-239 % similar Cyclopropyl methyl ketone765-43-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Diethyl carbonate105-58-8 Ethylene glycol monomethyl ether acetate110-49-6 (S)-2-Hydroxy-3-methylbutanoic acid17407-55-5 Methyl alpha-hydroxyisobutyrate2110-78-3 3,3-Bisz-(hydroxymethyl)-oxetane2754-18-9 (±)-2-Hydroxy-2-methylbutyric acid3739-30-8 Methyl 3-methoxypropionate3852-09-3 Ethyl 2-methoxyacetate3938-96-3

Elsewhere

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