1-Propanol, 3-(methylthio)-
- Formula: C4H10OS
- Molecular weight: 106.187
- IUPAC Standard InChI: InChI=1S/C4H10OS/c1-6-4-2-3-5/h5H,2-4H2,1H3
- IUPAC Standard InChIKey: CZUGFKJYCPYHHV-UHFFFAOYSA-N
- CAS Registry Number: 505-10-2
- 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: γ-Methylmercaptopropyl alcohol; 3-(Methylthio)-1-propanol; 3-Hydroxypropyl methyl sulfide; 3-Methylmercapto-1-propanol; 3-(Methylthio)propanol; 3-(Methylsulfanyl)propanol; 3-Methylthiopropyl alcohol; Methionol; NSC 2859; 3-(methylsulfanyl)propanol (methionol)
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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 MS | VF-5 MS | VF-5 MS | HP-5 MS | RTX-5 |
| Column length (m) | 30. | 60. | 60. | 30. | 60. |
| Carrier gas | Helium | Helium | Helium | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 1. |
| Tstart (C) | 45. | 30. | 30. | 50. | 40. |
| Tend (C) | 280. | 260. | 260. | 240. | 205. |
| Heat rate (K/min) | 15. | 2. | 2. | 4. | 4. |
| Initial hold (min) | 2. | 5. | |||
| Final hold (min) | 28. | 28. | 10. | 5. | |
| I | 983. | 981. | 984. | 980. | 980. |
| Reference | Wanakhachornkrai and Lertsiri, 9999 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Pino, Marquez, et al., 2010 | Berdague, Tournayre, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5 | DB-5 | DB-5 | HP-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 25. |
| Carrier gas | He | He | H2 | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.5 | |
| Tstart (C) | 40. | 45. | 60. | 60. | 35. |
| Tend (C) | 250. | 280. | 245. | 245. | 250. |
| Heat rate (K/min) | 4. | 15. | 3. | 3. | 4. |
| Initial hold (min) | 2. | 2. | 3. | 3. | |
| Final hold (min) | 5. | 11.4 | 20. | 20. | |
| I | 977. | 983. | 982. | 982. | 950. |
| Reference | Xu, Fan, et al., 2007 | Wanakhachornkrai and Lertsiri, 2003 | Kotseridis and Baumes, 2000 | Kotseridis and Baumes, 2000 | Ong, Acree, et al., 1998 |
| 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.
Wanakhachornkrai and Lertsiri, 9999
Wanakhachornkrai, P.; Lertsiri, S.,
Comparison of determination method for volatile compounds in Thai soy sauce,
Analytical, Nutritional and Clinical Methods, 9999, 1-11. [all data]
Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
Leffingwell Rep., 2011, 4, 1-17. [all data]
Pino, Marquez, et al., 2010
Pino, J.A.; Marquez, E.; Quijano, C.E.; Castro, D.,
Volatile compounds in noni (Morinda citrifolia L.) at two ripening stages,
Ciencia e Technologia de Alimentos, 2010, 30, 1, 183-187, https://doi.org/10.1590/S0101-20612010000100028
. [all data]
Berdague, Tournayre, et al., 2007
Berdague, J.L.; Tournayre, P.; Cambou, S.,
Novel multi-gas chromatography?olfactometry device and software for the identification of odour-active compounds,
J. Chromatogr. A, 2007, 1146, 1, 85-92, https://doi.org/10.1016/j.chroma.2006.12.102
. [all data]
Xu, Fan, et al., 2007
Xu, Y.; Fan, W.; Qian, M.C.,
Characterization of Aroma Compounds in Apple Cider Using Solvent-Assisted Flavor Evaporation and Headspace Solid-Phase Microextraction,
J. Agric. Food Chem., 2007, 55, 8, 3051-3057, https://doi.org/10.1021/jf0631732
. [all data]
Wanakhachornkrai and Lertsiri, 2003
Wanakhachornkrai, P.; Lertsiri, S.,
Analytical, nutritional, and clinical methods. Comparison of determination method for volatile compounds in Thai soy sauce,
Food Chem., 2003, 83, 4, 619-629, https://doi.org/10.1016/S0308-8146(03)00256-5
. [all data]
Kotseridis and Baumes, 2000
Kotseridis, Y.; Baumes, R.,
Identification of impact odorants in Bordeaux red grape juice, in the commercial yeast used for its fermentation, and in the produced wine,
J. Agric. Food Chem., 2000, 48, 2, 400-406, https://doi.org/10.1021/jf990565i
. [all data]
Ong, Acree, et al., 1998
Ong, P.K.C.; Acree, T.E.; Lavin, E.H.,
Characterization of volatiles in rambutan fruit (Nephelium lappaceum L.),
J. Agric. Food Chem., 1998, 46, 2, 611-615, https://doi.org/10.1021/jf970665t
. [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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