5,5-dimethylfuran-2-one

CAS No. 20019-64-1

Formula: C6H8O2
Basic Info

Formula
C6H8O2
Molecular Weight
112.127
Exact Mass
112.052
LogP
0.878
PSA
26.3
Synonyms

5,5-Dimethyl-2,5-dihydro-2-furanone

5,5-dimethyl-2-furanone

5,5-Dimethyl-5H-furan-2-on

4,4-Dimethyl-2-buten-4-olide

5,5-dimethyl-5H-furan-2-one

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Properties
Density
1.038g/cm3
Boiling Point
202.8ºC at 760 mmHg
Flash Point
72.9ºC
Refractive Index
1.451
Vapor Pressure
0.288mmHg at 25°C
Safety Info
HS Code
2932209090
Spectrum
NMR Spectrum 1H NMR : Predict
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Analysis Methods
Kovats' RI, polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
Carbowax 20M
Retention index
1583.
Temperature Control
Method
temperature ramp
Comments
He, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; T<sub>start</sub>: 70. C; T<sub>end</sub>: 190. C
Reference
Tressl, R.Friese, L.Fendesack, F.Köppler, H.Gas chromatographic--mass spectrometric investigation of hop aroma constituents in beerJ. Agric. Food Chem.1978, 26, 6, 1422-1426.
Kovats' RI, polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
Carbowax 20M
Retention index
1583.
Temperature Control
Method
temperature ramp
Comments
He, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; T<sub>start</sub>: 70. C; T<sub>end</sub>: 190. C
Reference
Tressl, R.Friese, L.Fendesack, F.Köppler, H.Studies of the volatile composition of hops during storageJ. Agric. Food Chem.1978, 26, 6, 1426-1430.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
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Column Shape
Capillary
Active Phase(℃)
DB-Petro
Retention index
907.5
Temperature Control
Method
temperature ramp
Comments
50. m/0.2 mm/0.5 μm, 2. K/min; T<sub>start</sub>: 50. C; T<sub>end</sub>: 270. C
Reference
Pang T.Zhu S.Lu X.Xu G.Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatographyJ. Sep. Sci.2007, 30, 6, 868-874.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
DB-Petro
Retention index
907.5
Temperature Control
Method
temperature ramp
Comments
50. m/0.2 mm/0.5 μm, 2. K/min; T<sub>start</sub>: 50. C; T<sub>end</sub>: 270. C
Reference
Pang T.Zhu S.Lu X.Xu G.Identification of unknown compounds on the basis of retention index data in comprehensive two-dimensional gas chromatographyJ. Sep. Sci.2007, 30, 6, 868-874.
Van Den Dool and Kratz RI, non-polar column, temperature ramp
expand collapse
Column Shape
Capillary
Active Phase(℃)
HP-5MS
Retention index
952.
Temperature Control
Method
temperature ramp
Comments
30. m/0.25 mm/0.25 μm, He, 3. K/min; T<sub>start</sub>: 50. C; T<sub>end</sub>: 250. C
Reference
Salido, S.Valenzuela, L.R.Altarejos, J.Nogueras, M.Sánchez, A.Cano, E.Composition and infraspecific variability of Artemisia herba-alba from southern SpainBiochem. Syst. Ecol.2004, 32, 3, 265-277.
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