CH3C(O)CCH
Butynone, methyl ethynyl ketone; acetylacetylene, acetylethyne, ethynyl methyl ketone
Species tag 068514
Version1*
Date of EntryNov. 2025
ContributorH. S. P. Müller

The molecule displays internal rotation of the methyl group. The present analysis is based on the data from
(1) K. G. Lengsfeld, P. Buschmann, F. Dohrmann, J.-U. Grabow, 2021, J. Mol. Spectrosc. 378, Art. No. 111441.
The parameter set differs from the published one. The calculation was truncated at J = 20 ans 211 GHz because of the limitated quantum number range. The calculation should be sufficient for observations in colder sources. Transitions with calculated uncertainties exceeding 0.1 MHz should be viewed with caution.
Please note that state number 0 and 1 refer to the A and E symmetry components, respectively. This differs slightly from the standard erham notation.
The partition function refers to the complete ground vibrational state which was evaluated with gI = 1.
The dipole moment components were determined by
(2) O. L. Stiefvater, J. J. Sheridan, 1963, Proc. Chem. Soc. 368.

Lines Listed3521
Frequency / GHz< 211
Max. J20
log STR0-11.0
log STR1-6.5
Isotope Corr. 
Egy / cm–10.0
 µa / D1.0
 µb / D2.18
 µc / D 
 A / MHz10256.983
 B / MHz4030.014
 C / MHz2941.626
 Q(300.0)159328.1119
 Q(225.0)103422.9589
 Q(150.0)56264.7405
 Q(75.00)19885.6274
 Q(37.50)7032.7160
 Q(18.75)2489.1542
 Q(9.375)882.1926
 Q(5.000)345.1128
 Q(2.725)139.9553
detected in ISM/CSMno


Database maintained by Holger S. P. Müller and Sven Thorwirth, programming by D. Roth and F. Schlöder