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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Van Den Dool and Kratz RI, polar column, custom temperature program
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 | DB-Wax | DB-Wax | SOLGel-Wax | SOLGel-Wax | FFAP |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | H2 | H2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.5 | 0.5 | 0.25 | 0.25 | 0.25 |
| Program | 60C(3min) => 2C/min => 220C => 3C/min => 245C (20min) | 60C(3min) => 2C/min => 220C => 3C/min => 245C(20min) | 35C(5min) => 3C/min => 150C => 5C/min => 250C(10 min) | 35C(5min) => 3C/min => 150C => 5C/min => 250C (10min) | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 20C/min => 230C(10min) |
| I | 1723. | 1723. | 1686. | 1686. | 1716. |
| Reference | Selli, Canbas, et al., 2006 | Selli, Canbas, et al., 2006, 2 | Aubert, Baumann, et al., 2005 | Aubert, Baumann, et al., 2005 | Fritsch and Schieberle, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | FFAP | DB-Wax | Carbowax 20M | FFAP |
| Column length (m) | 30. | 60. | 25. | 25. |
| Carrier gas | He | He | H2 | He |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.3 |
| Program | 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 20C/min => 230C(10min) | 35C(0.7min) => 20C/min => 70C => 4C/min => 240C | 40C (8min) => 3C/min => 180C => 20C/min => 230C | 35C(2min) => 5C/min => 170C => 20C/min => 240C (10min) |
| I | 1716. | 1702. | 1725. | 1706. |
| Reference | Fritsch and Schieberle, 2005 | Ferrari, Lablanquie, et al., 2004 | Boido, Lloret, et al., 2003 | Fuhrmann and Grosch, 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Selli, Canbas, et al., 2006
Selli, S.; Canbas, A.; Cabaroglu, T.; Erten, H.; Gunata, Z.,
Aroma components of cv. Muscat of Bornova wines and influence of skin contact treatment,
Food Chem., 2006, 94, 3, 319-326, https://doi.org/10.1016/j.foodchem.2004.11.019
. [all data]
Selli, Canbas, et al., 2006, 2
Selli, S.; Canbas, A.; Cabaroglu, T.; Erten, H.; Lepoutre, J.-P.; Gunata, Z.,
Effect of skin contact on the free and bound aroma compounds of the white wine of Vitis vinifera L. cv Narince,
Food Control, 2006, 17, 1, 75-82, https://doi.org/10.1016/j.foodcont.2004.09.005
. [all data]
Aubert, Baumann, et al., 2005
Aubert, C.; Baumann, S.; Arguel, H.,
Optimization of the Analysis of Flavor Volatile Compounds by Liquid-Liquid Microextraction (LLME). Application to the Aroma Analysis of Melons, Peaches, Grapes, Strawberries, and Tomatoes,
J. Agric. Food Chem., 2005, 53, 23, 8881-8895, https://doi.org/10.1021/jf0510541
. [all data]
Fritsch and Schieberle, 2005
Fritsch, H.T.; Schieberle, P.,
Identification based on quantitative measurements and aroma recombination of the character impact odorants in a Bavarian Pilsner-type beer,
J. Agric. Food Chem., 2005, 53, 19, 7544-7551, https://doi.org/10.1021/jf051167k
. [all data]
Ferrari, Lablanquie, et al., 2004
Ferrari, G.; Lablanquie, O.; Cantagrel, R.; Ledauphin, J.; Payot, T.; Fournier, N.; Guichard, E.,
Determination of key odorant compounds in freshly distilled cognac using GC-O, GC-MS, and sensory evaluation,
J. Agric. Food Chem., 2004, 52, 18, 5670-5676, https://doi.org/10.1021/jf049512d
. [all data]
Boido, Lloret, et al., 2003
Boido, E.; Lloret, A.; Medina, K.; Fariña, L.; Carrau, f.; Versini, G.; Dellacassa, E.,
Aroma composition of Vitis vinifera Cv. Tannat: the typical red wine from Uruguay,
J. Agric. Food Chem., 2003, 51, 18, 5408-5413, https://doi.org/10.1021/jf030087i
. [all data]
Fuhrmann and Grosch, 2002
Fuhrmann, E.; Grosch, W.,
Character impact odorants of the apple cultivars Elstar and Cox Orange,
Nahrung/Food, 2002, 46, 3, 187-193, https://doi.org/10.1002/1521-3803(20020501)46:3<187::AID-FOOD187>3.0.CO;2-5
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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