4-Hydroxy-2-butanone

C₄H₈O₂CAS 590-90-988.11 g/mol

Open in Covalent MOL file

Alcohol Ketone

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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Danger

H226 Flammable liquid and vapor27.3% of notifiers
H315 Causes skin irritation74.7% of notifiers
H317 May cause an allergic skin reaction70.1% of notifiers
H318 Causes serious eye damage70.1% of notifiers

Aggregated from 154 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, P272, P280, P302+P352, P303+P361+P353, P305+P354+P338, P317, P321, P332+P317, P333+P317, P362+P364, P370+P378, P403+P235, P501

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 2,15-Hexadecanedione18650-13-052 % similar 2-Pentanone107-87-950 % similar Levulinic acid123-76-250 % similar 5-[Ethyl(2-hydroxyethyl)amino]-2-pentanone74509-79-848 % similar 4-Chloro-2-butanone6322-49-248 % 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