3-Mercaptopropyl acetate
- Formula: C5H10O2S
- Molecular weight: 134.197
- IUPAC Standard InChI: InChI=1S/C5H10O2S/c1-5(6)7-3-2-4-8/h8H,2-4H2,1H3
- IUPAC Standard InChIKey: FVSBSLZVZIYRRO-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
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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
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP-Sil 5 CB | 992. | Liu, Cao, et al., 2009 | Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
| Capillary | CP-Sil 5 CB | 989. | Bailly, Jerkovic, et al., 2006 | 50. m/0.32 mm/1.20 μm, Helium; Program: 36 0C 20 0C/min -> 85 0C 1 0C/min -> 1345 0C 3 0C/min -> 250 0C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | FFAP-CB | 1565. | Bailly, Jerkovic, et al., 2006 | 25. m/0.32 mm/0.30 μm, Helium; Program: 36 0C 20 0C/min -> 85 0C 1 0C/min -> 1345 0C 3 0C/min -> 250 0C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Liu, Cao, et al., 2009
Liu, F.; Cao, C.; Li, X.,
Quantitative structure-retention relationship study of mercapto-compounds by the method of dividing the molecular structure into substructure,
QSAR Comb. Sci., 2009, 28, 11-12, 1358-1366, https://doi.org/10.1002/qsar.200960043
. [all data]
Bailly, Jerkovic, et al., 2006
Bailly, S.; Jerkovic, V.; Collin, S.,
Identification of key-odorants in Sauternes wines, Identification of key-odorants in Sauternes wines, 5th International Terroir Congress, 2006, 4. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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