2,2-Dimethoxyacetaldehyde

C4H8O3CAS 51673-84-8104.11 g/mol

Open in Covalent MOL file
OOO
AcetalAldehydeEther

Properties

Molecular formula
C4H8O3
Molar mass
104.11 g/mol
Exact mass
104.0473 Da
Boiling point
58–61 °C (at 39 Torr)
logP
-0.20Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 52 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
51673-84-8
SMILES
COC(C=O)OC
InChIKey
OGFKTAMJLKHRAZ-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O3/c1-6-4(3-5)7-2/h3-4H,1-2H3

Weigh it out

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Names and synonyms

9 names
  • Acetaldehyde, 2,2-dimethoxy-
  • Acetaldehyde, dimethoxy-
  • Glyoxal, dimethyl acetal
  • Dimethoxyacetaldehyde
  • 2,2-Dimethoxyethanal
  • Dimethoxyethanal
  • Highlink DM
  • Glyoxal 1,1-dimethyl acetal
  • Dimethoxyacetaldehdye

Work with 2,2-Dimethoxyacetaldehyde

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

2,5-Dimethoxy-2,5-dihydrofuran332-77-445 % similar Acrolein dimethyl acetal6044-68-443 % similar 1,3,3-Trimethoxy-1-propene17576-35-139 % similar 2-Methoxypropane598-53-837 % similar Isobutyraldehyde78-84-235 % similar Methyl 2-formyl-3-oxopropanoate50427-65-135 % similar Trimethyl orthoformate149-73-533 % similar Dimethylformamide dimethyl acetal4637-24-532 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(+)-Methyl lactate17392-83-5 (S)-(-)-2-Methoxypropionic acid23953-00-6 (-)-Methyl lactate27871-49-4 Beta-hydroxybutyric acid300-85-6 (S)-2-Hydroxybutyric acid3347-90-8 Erythritan4358-64-9 1,3-Dioxan-5-ol4740-78-7 Glycol monoacetate542-59-6

Elsewhere

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