Dihydro-3-(2H)-thiophenone
- Formula: C4H6OS
- Molecular weight: 102.155
- IUPAC Standard InChI: InChI=1S/C4H6OS/c5-4-1-2-6-3-4/h1-3H2
- IUPAC Standard InChIKey: DSXFPRKPFJRPIB-UHFFFAOYSA-N
- CAS Registry Number: 1003-04-9
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Other names: Tetrahydrothiophen-3-one; Tetrahydrothiophene-3-one; 4,5-Dihydro-3(2H)-thiophenone; 3(2H)-Thiophenone, dihydro-; 3-Oxo-2,3,4,5-tetrahydrothiophene; 3-Oxotetrahydrothiophene; 3-Thiacyclopentanone; 3-Thiophanone; Thiolan-3-one; NSC 241151; dihydro-3-(2H)-thiophenone (tetrahydrothiophen-3-one); dihydrothiophen-3(2H)-one
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Normal alkane RI, non-polar column, temperature ramp
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | SPB-1 | SPB-5 | DB-1 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 60. | 60. |
| Carrier gas | Helium | Helium | Helium | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 1.0 | 0.25 | 1.0 | 0.25 |
| Tstart (C) | 50. | 60. | 60. | 40. | 60. |
| Tend (C) | 220. | 250. | 250. | 280. | 220. |
| Heat rate (K/min) | 4. | 5. | 4. | 2. | 3. |
| Initial hold (min) | 5. | 2. | |||
| Final hold (min) | 20. | ||||
| I | 955. | 913. | 954. | 914. | 916. |
| Reference | Shedid, 2010 | Frerot, Velluz, et al., 2008 | Pino, Marbot, et al., 2002 | Tai and Ho, 1998 | Guntert, Brüning, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Shedid, 2010
Shedid, S.,
Chemical composition and antioxidant activity of Mallard reaction products generated from glutathione or Cysteine/glucose,
World Appl. Sci. J., 2010, 9, 10, 1148-1154. [all data]
Frerot, Velluz, et al., 2008
Frerot, E.; Velluz, A.; Bagnoud, A.; Delort, E.,
Analysis of the volatile constituents of cooked petai beans (Parkia speciosa) using high-resolution GC/TOF-MS,
Flav. Fragr. J., 2008, 23, 6, 434-440, https://doi.org/10.1002/ffj.1902
. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C.,
Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.),
Revista CENIC Ciencias Quimicas, 2002, 33, 3, 115-119. [all data]
Tai and Ho, 1998
Tai, C.-Y.; Ho, C.-T.,
Influence of glutathione oxidation and pH on thermal formation of Maillard-type volatile compounds,
J. Agric. Food Chem., 1998, 46, 6, 2260-2265, https://doi.org/10.1021/jf971111t
. [all data]
Guntert, Brüning, et al., 1990
Guntert, M.; Brüning, J.; Emberger, R.; Köpsel, Ml; Kuhn, W.; Thielmann, T.; Werkhoff, P.,
Identification and formation of some selected sulfur-containing flavor compounds in various meat model systems,
J. Agric. Food Chem., 1990, 38, 11, 2027-2041, https://doi.org/10.1021/jf00101a007
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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