Butanone

C₄H₈OCAS 78-93-372.11 g/mol

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Properties

Molecular formula: C₄H₈O
Molar mass: 72.11 g/mol
Exact mass: 72.0575 Da
Density: 0.805 g/mL (at 20 °C)
Melting point: −86 °C
Boiling point: 79.6 °C
pKa: 14.7
Flash point: -9 °C (closed cup)
Water solubility: 290 g/L (20 °C)
logP: 0.99Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H225 Highly Flammable liquid and vaporFlammable liquids
H319 Causes serious eye irritationSerious eye damage/eye irritation
H336 May cause drowsiness or dizzinessSpecific target organ toxicity, single exposure; Narcotic effects

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

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

Identifiers

CAS number

78-93-3

SMILES

CCC(C)=O

InChIKey

ZWEHNKRNPOVVGH-UHFFFAOYSA-N

InChI

InChI=1S/C4H8O/c1-3-4(2)5/h3H2,1-2H3

Weigh it out

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

Names and synonyms

6 names

2-Butanone
Ethyl methyl ketone
MEK
3-Butanone
Methyl ethyl ketone
Superbutanox M 50

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 78-93-3. Each row opens the sheet with its composition and PDF.

2-Butanone ≤ 100 %Fisher Scientific UK · 2023-10-04

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Work with 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

2,4-Hexanedione3002-24-257 % similar Hexane-2,5-dione110-13-453 % similar Acetylacetone123-54-653 % similar 2-Pentanone107-87-950 % similar 2-Hexanone591-78-645 % similar Hydroxyacetone116-09-645 % similar 2,15-Hexadecanedione18650-13-045 % similar Fluoroacetone430-51-345 % similar

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

Same formula

1,2-Epoxybutane106-88-7 Ethyl vinyl ether109-92-2 Tetrahydrofuran109-99-9 2-Methoxypropene116-11-0 Butyraldehyde123-72-8 Deuterated thf1693-74-9 cis-2,3-Epoxybutane1758-33-4 trans-2,3-Dimethyloxirane21490-63-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia