2,5-dimethyl-1,4-dithiane
- Formula: C6H12S2
- Molecular weight: 148.289
- IUPAC Standard InChI: InChI=1S/C6H12S2/c1-5-3-8-6(2)4-7-5/h5-6H,3-4H2,1-2H3
- IUPAC Standard InChIKey: OGQAHQBLZPEVNY-UHFFFAOYSA-N
- CAS Registry Number: 72033-37-5
- 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: 3,6-dimethyl-1,4-dithiane; 1,4-Dithiacyclohexane, 3,6-dimethyl; 1,4-Dithiane, 3,6-dimethyl
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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
Go To: Top, References, Notes
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 | HP-5 | HP-5 | DB-1 | DB-1 | DB-1 |
| Column length (m) | 30. | 30. | 60. | 60. | 60. |
| Carrier gas | N2 | N2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 1.0 | 1.0 | 1.0 |
| Tstart (C) | 40. | 40. | 40. | 40. | 40. |
| Tend (C) | 240. | 240. | 260. | 260. | 260. |
| Heat rate (K/min) | 4. | 4. | 2. | 2. | 2. |
| Initial hold (min) | 3. | 3. | 5. | 5. | 5. |
| Final hold (min) | 10. | 10. | 60. | 60. | 60. |
| I | 1130. | 1136. | 1134. | 1157. | 1162. |
| Reference | Kubec, Velísek, et al., 1997 | Kubec, Velísek, et al., 1997 | Yu, Wu, et al., 1994 | Yu, Wu, et al., 1994 | Yu, Wu, et al., 1994 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | DB-1 | DB-1 |
| Column length (m) | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 1. | 1. | 1. | 1. |
| Tstart (C) | 40. | 40. | 40. | 40. |
| Tend (C) | 260. | 260. | 260. | 260. |
| Heat rate (K/min) | 2. | 2. | 2. | 2. |
| Initial hold (min) | 5. | 5. | 5. | 5. |
| Final hold (min) | 60. | 60. | 60. | 60. |
| I | 1137. | 1145. | 1138. | 1133. |
| Reference | Yu, Wu, et al., 1994, 2 | Yu, Wu, et al., 1994, 2 | Yu, Wu, et al., 1994, 2 | Yu, Wu, et al., 1994, 3 |
| Comment | 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.
Kubec, Velísek, et al., 1997
Kubec, R.; Velísek, J.; Dolezal, M.; Kubelka, V.,
Sulfur-containing volatiles arising by thermal degradation of alliin and deoxyalliin,
J. Agric. Food Chem., 1997, 45, 9, 3580-3585, https://doi.org/10.1021/jf970071q
. [all data]
Yu, Wu, et al., 1994
Yu, T.-H.; Wu, C.-M.; Ho, C.-T.,
Meat-like flavor generated from thermal interactions of glucose and alliin or deoxyalliin,
J. Agric. Food Chem., 1994, 42, 4, 1005-1009, https://doi.org/10.1021/jf00040a032
. [all data]
Yu, Wu, et al., 1994, 2
Yu, T.-H.; Wu, C.-M.; Rosen, R.T.; Hartman, T.G.; Ho, C.-T.,
Volatile compounds in generated from thermal degradation of alliin and deoxyalliin in an aqueous solution,
J. Agric. Food Chem., 1994, 42, 1, 146-153, https://doi.org/10.1021/jf00037a026
. [all data]
Yu, Wu, et al., 1994, 3
Yu, T.-H.; Wu, C.-M.; Ho, C.-T.,
Volatile compounds generated from the thermal interaction of glucose and alliin or deoxyalliin in propylene glycol,
Food Chem., 1994, 51, 3, 281-286, https://doi.org/10.1016/0308-8146(94)90028-0
. [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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