4H-Thiopyran-4-one, tetrahydro-
- Formula: C5H8OS
- Molecular weight: 116.181
- IUPAC Standard InChI: InChI=1S/C5H8OS/c6-5-1-3-7-4-2-5/h1-4H2
- IUPAC Standard InChIKey: OVRJVKCZJCNSOW-UHFFFAOYSA-N
- CAS Registry Number: 1072-72-6
- 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: 1-Thiacyclohexan-4-one; 4-Thiacyclohexanone; Penthianone; Tetrahydro-1-thio-γ-pyrone; Tetrahydro-1-thio-4-pyrone; Tetrahydro-1,4-thiapyrone; Tetrahydro-4-thiopyrone; Tetrahydro-4H-thiopyran-4-one; Tetrahydrothiopyran-4-one; 2,3,5,6-Tetrahydro-4-thiopyranone; 4-Oxotetrahydrothiopyran; 4-Oxothiane; Tetrahydrothia-4-pyranone; Tetrahydro-4H-thiapyran-4-one; 4H-tetrahydrothiopyran-4-one; 4-Thianone; NSC 41599
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Gas phase thermochemistry data
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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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -37.1 ± 0.65 | kcal/mol | Ccb | Geiseler and Sawistowsky, 1972 |
Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1011. | Zhang and Ho, 1991 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C |
| Capillary | DB-1 | 1017. | Zhang and Ho, 1991, 2 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 40. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 1017. | Frerot, Velluz, et al., 2008 | 30. m/0.25 mm/1.0 μm, Helium, 60. C @ 5. min, 5. K/min; Tend: 250. C |
References
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Geiseler and Sawistowsky, 1972
Geiseler, V.G.; Sawistowsky, J.,
Bildungsenthalpien und Mesomerieenergien von π-Bindungssystemen. 4. Mitteilung: Bildungsenthalpien einiger Thiacyclannone,
Z. Phys. Chem. (Leipzig), 1972, 250, 43-48. [all data]
Zhang and Ho, 1991
Zhang, Y.; Ho, C.-T.,
Formation of meatlike aroma compounds from thermal reaction of inosine 5'-monophosphate with cysteine and glutathione,
J. Agric. Food Chem., 1991, 39, 6, 1145-1148, https://doi.org/10.1021/jf00006a031
. [all data]
Zhang and Ho, 1991, 2
Zhang, Y.; Ho, C.-T.,
Comparison of the volatile compounds formed from the thermal reaction of glucose with cysteine and glutathione,
J. Agric. Food Chem., 1991, 39, 4, 760-763, https://doi.org/10.1021/jf00004a029
. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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