chempirical

4-Hydroxy-2-butanone

C4H8O2CAS 590-90-988.11 g/mol

Open in Covalent MOL file
OOH
AlcoholKetone

Properties

Molecular formula
C4H8O2
Molar mass
88.11 g/mol
Exact mass
88.0524 Da
Density
1.1089 g/mL (at 24 °C)
Melting point
121 °C
Boiling point
109 °C
logP
-0.04Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
590-90-9
SMILES
CC(=O)CCO
InChIKey
LVSQXDHWDCMMRJ-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O2/c1-4(6)2-3-5/h5H,2-3H2,1H3

Weigh it out

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

Names and synonyms

11 names
  • 2-Butanone, 4-hydroxy-
  • 4-Butanol-2-one
  • Methylolacetone
  • 3-Ketobutan-1-ol
  • 3-Oxo-1-butanol
  • Monomethylolacetone
  • 3-Oxobutanol
  • 3-Ketobutanol
  • 1-Hydroxybutan-3-one
  • 2-Hydroxyethyl methyl ketone
  • NSC 41219

Work with 4-Hydroxy-2-butanone

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

5-Hydroxy-2-pentanone1071-73-471 % similar Hexane-2,5-dione110-13-461 % similar Hydroxyacetone116-09-652 % similar 2-Pentanone107-87-950 % similar 5-[Ethyl(2-hydroxyethyl)amino]-2-pentanone74509-79-848 % similar 4-Chloro-2-butanone6322-49-248 % similar 5-Oxohexanoic acid3128-06-146 % similar 2-Hexanone591-78-646 % similar

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

Same formula

3-Hydroxybutanal107-89-1 Butyric acid107-92-6 2-Butene-1,4-diol110-64-5 Propyl formate110-74-7 1,4-Dioxane123-91-1 Ethyl acetate141-78-6 1,4-Dioxane-D817647-74-4 2-Methylene-1,3-propanediol3513-81-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook