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Home > Encyclopedia > 3,4-Dimethyl-2(5H)-thiophenone

3,4-Dimethyl-2(5H)-thiophenone

3,4-Dimethyl-2(5H)-thiophenone structure

3,4-Dimethyl-2(5H)-thiophenone 

structure
  • CAS No:

    33922-75-7

  • Formula:

    C6H8OS

  • Chemical Name:

    3,4-Dimethyl-2(5H)-thiophenone

  • Synonyms:

    2(5H)-Thiophenone,3,4-dimethyl-;3,4-Dimethyl-2(5H)-thiophenone;3,4-Dimethyl-2,5-dihydrothiophen-2-one;2,5-Dihydro-3,4-dimethylthiophene-2-one;2,5-Dihydro-3,4-dimethylthiophen-2-one

3,4-Dimethyl-2(5H)-thiophenone Basic Attributes

128.19 g/mol

128.19

DTXSID40187546

Characteristics

42.4 Ų

1.5962

38-39 °C

Analysis Methods

Name Column Shape Active Phase(℃) Retention index Temperature Control Method Comments Reference
Van Den Dool and Kratz RI, non-polar column, temperature ramp Capillary OV-1 1200. temperature ramp 1. K/min; Column length: 183. m; Column diameter: 0.762 mm; Tstart: 0. C; Tend: 230. C Schreyen, L.Dirinck, P.van Wassenhove, F.Schamp, N.Analysis of leek volatiles by headspace condensationJ. Agric. Food Chem.1976, 24, 6, 1147-1152.
Van Den Dool and Kratz RI, non-polar column, temperature ramp Capillary OV-1 1193. temperature ramp N2, 1. K/min; Column length: 183. m; Tstart: 0. C; Tend: 230. C Schreyen, L.Dirinck, P.van Wassenhove, F.Schamp, N.Volatile flavor components of leekJ. Agric. Food Chem.1976, 24, 2, 336-341.
Van Den Dool and Kratz RI, non-polar column, temperature ramp Capillary DB-5MS 1217. temperature ramp 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 270. C Zoghbi, M.G.B.Andrade, E.H.A.Maia, J.G.S.Volatile constituents from Adenocalymma alliaceum Miers and Petiveria alliacea L., two medicinal herbs of the AmazonFlavour Fragr. J.2002, 17, 2, 133-135.

Computed Properties

Molecular Weight:128.19
XLogP3:1
Hydrogen Bond Acceptor Count:2
Exact Mass:128.02958605
Monoisotopic Mass:128.02958605
Topological Polar Surface Area:42.4
Heavy Atom Count:8
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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