3-Butyn-2-one

C4H4OCAS 1423-60-568.07 g/mol

Open in Covalent MOL file
O
AlkyneKetone

Properties

Molecular formula
C4H4O
Molar mass
68.07 g/mol
Exact mass
68.0262 Da
Density
0.8796 g/mL (at 20 °C)
Boiling point
84 °C
logP
0.21Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 50 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, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
1423-60-5
SMILES
C#CC(C)=O
InChIKey
XRGPFNGLRSIPSA-UHFFFAOYSA-N
InChI
InChI=1S/C4H4O/c1-3-4(2)5/h1H,2H3

Weigh it out

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

Names and synonyms

6 names
  • Methyl ethynyl ketone
  • Ethynyl methyl ketone
  • Acetylacetylene
  • 1-Butyn-3-one
  • Acetylethyne
  • Butyn-2-one

Work with 3-Butyn-2-one

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

Methyl propiolate922-67-838 % similar Propiolic acid471-25-036 % similar Propynamide7341-96-036 % similar 2-Methyl-1-buten-3-yne78-80-836 % similar 4-(Trimethylsilyl)-3-butyn-2-one5930-98-336 % similar tert-Butyl propiolate13831-03-333 % similar Ethyl propiolate623-47-233 % similar Ethyl propiolate823-47-233 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Furan110-00-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook