2-Butyne

C4H6CAS 503-17-354.09 g/mol

Open in Covalent MOL file
Alkyne

Properties

Molecular formula
C4H6
Molar mass
54.09 g/mol
Exact mass
54.0470 Da
Density
0.688 g/mL (at 25 °C)
Melting point
−32.3 °C
Boiling point
26.9 °C
Flash point
-20 °C
logP
1.03Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Danger
Flammable (GHS02)Irritant (GHS07)

Aggregated from 76 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, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number
503-17-3
SMILES
CC#CC
InChIKey
XNMQEEKYCVKGBD-UHFFFAOYSA-N
InChI
InChI=1S/C4H6/c1-3-4-2/h1-2H3

Weigh it out

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

Names and synonyms

2 names
  • 2-Butine
  • Dimethylacetylene

Work with 2-Butyne

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-Hexadiyne2809-69-056 % similar 1-(Trimethylsilyl)prop-1-yne6224-91-536 % similar 2-Pentyne627-21-436 % similar 1-Bromo-2-butyne3355-28-033 % similar 2-Butyn-1-ol764-01-233 % similar 2-Hexyne764-35-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Butadiene106-99-0 1-Butyne107-00-6 Bicyclobutane157-33-5 1-Methylcyclopropene3100-04-7 1,2-Butadiene590-19-2 Cyclobutene822-35-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia