4-mercapto-4-methyl-2-pentanol
- Formula: C6H14OS
- Molecular weight: 134.240
- IUPAC Standard InChI: InChI=1S/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3
- IUPAC Standard InChIKey: FDBQLLMYSACLPB-UHFFFAOYSA-N
- CAS Registry Number: 255391-65-2
- 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. - Species with the same structure:
- Other names: 4-mercapto-4-methyl pentan-2-ol; 4-methyl-4-mercapto-2-pentanol; 2-Pentanol, 4-mercapto-4-methyl
- Information on this page:
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Gas Chromatography
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1039. | Mahattanatawee, Goodner, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min, 250. C @ 15. min |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1042. | Rouseff, Smoot, et al., 2002 | Program: not specified |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1567. | Lin and Rouseff, 2001 | 30. m/0.32 mm/0.50 μm, He, 7. K/min, 240. C @ 5. min; Tstart: 40. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1042. | Lin, Rouseff, et al., 2002 | 30. m/0.32 mm/0.25 μm, He, 7. K/min; Tstart: 40. C; Tend: 290. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | 5 % Phenyl methyl siloxane | 976. | Kleinhenz, Kuo, et al., 2006 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1534. | Lin, Rouseff, et al., 2002 | 30. m/0.32 mm/0.5 μm, He, 7. K/min, 240. C @ 5. min; Tstart: 40. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP | 1547. | Vermeulen, Guyot-Declerck, et al., 2003 | 25. m/0.32 mm/0.3 μm; Program: 40C(4min) => 2C/min => 132C => 10C/min => 250C(15min) |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Mahattanatawee, Goodner, et al., 2005
Mahattanatawee, K.; Goodner, K.L.; Baldwin, E.A.,
Volatile constituents and character impact compounds of selected Florida's tropical fruit,
Proc. Fla. State Hort. Soc., 2005, 118, 414-418. [all data]
Rouseff, Smoot, et al., 2002
Rouseff, R.; Smoot, J.; Valim, F.; Dreher, G.; Mahattanatawee, k.; Bell, W.; Blaze, M.,
Flavor Database, 2002, retrieved from http://www.lal.ufl.edu/rouseff. [all data]
Lin and Rouseff, 2001
Lin, J.; Rouseff, R.L.,
Characterization of aroma-impact compounds in cold-pressed grapefruit oil using time-intensity GC-olfactometry and GC-MS,
Flavour Fragr. J., 2001, 16, 6, 457-463, https://doi.org/10.1002/ffj.1041
. [all data]
Lin, Rouseff, et al., 2002
Lin, J.; Rouseff, R.L.; Barros, S.; Naim, M.,
Aroma composition changes in early season grapefruit juice produced from thermal concentration,
J. Agric. Food Chem., 2002, 50, 4, 813-819, https://doi.org/10.1021/jf011154g
. [all data]
Kleinhenz, Kuo, et al., 2006
Kleinhenz, J.K.; Kuo, C.J.; Harper., W.J.,
Evaluation of polyfunctional thiol compounds in aged Cheddar cheese: identification,
Milchwissenschaft, 2006, 61, 3, 300-304. [all data]
Vermeulen, Guyot-Declerck, et al., 2003
Vermeulen, C.; Guyot-Declerck, C.; Collin, S.,
Combinatorial synthesis and sensorial properties of mercapto primary alcohols and analogues,
J. Agric. Food Chem., 2003, 51, 12, 3623-3628, https://doi.org/10.1021/jf0212340
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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