Pentanenitrile, 5-(methylthio)-
- Formula: C6H11NS
- Molecular weight: 129.223
- IUPAC Standard InChI: InChI=1S/C6H11NS/c1-8-6-4-2-3-5-7/h2-4,6H2,1H3
- IUPAC Standard InChIKey: XPUDGEZWSNPCMM-UHFFFAOYSA-N
- CAS Registry Number: 59121-25-4
- 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: 4-(Methylthio)butyl cyanide; 5-Methylthiopentanonitrile; 5-Methylthiopentyl nitrile; 5-(Methylthio)pentanenitrile; 5-(Methylsulfanyl)pentanenitrile
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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
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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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-101 | HP-101 | HP-1 | CP Sil 5 CB | HP-1 |
| Column length (m) | 25. | 25. | 50. | 30. | 50. |
| Carrier gas | Helium | Helium | Helium | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.20 | 0.20 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.33 | 0.25 | 0.5 |
| Tstart (C) | 70. | 70. | 60. | 40. | 60. |
| Tend (C) | 200. | 200. | 250. | 220. | 220. |
| Heat rate (K/min) | 3. | 3. | 2. | 4. | 2. |
| Initial hold (min) | 2. | 2. | 1. | ||
| Final hold (min) | 20. | 40. | |||
| I | 1220. | 1227. | 1158. | 1174. | 1142. |
| Reference | Blazevic and Mastelic, 2008 | Blazevic and Mastelic, 2008 | Breme, Langle, et al., 2008 | Rohloff and Bones, 2005 | Valette, Fernandez, et al., 2003 |
| 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.
Blazevic and Mastelic, 2008
Blazevic, I.; Mastelic, J.,
Free and bounded volatiles of rocket (Eruca sativa Mill.),
Fravour Fragr. J., 2008, 23, 4, 278-285, https://doi.org/10.1002/ffj.1883
. [all data]
Breme, Langle, et al., 2008
Breme, K.; Langle, S.; Fernandez, X.; Meierhenrich, U.J.; Brevard, H.; Joulain, D.,
Character impact odorants from Brassicaceae by aroma extracts dilution analysis (AEDA): Brassica cretica and Brassica insularis,
Flavour Fragr. J., 2008, 24, 2, 88-93, https://doi.org/10.1002/ffj.1912
. [all data]
Rohloff and Bones, 2005
Rohloff, J.; Bones, A.M.,
Volatile profiling of Arabidopsis thaliana - Putative olfactory compounds in plant communication,
Phytochemistry, 2005, 66, 16, 1941-1955, https://doi.org/10.1016/j.phytochem.2005.06.021
. [all data]
Valette, Fernandez, et al., 2003
Valette, L.; Fernandez, X.; Poulain, S.; Loiseau, A.-M.; Lizzani-Cuvelier, L.; Levieil, R.; Restier, L.,
Volatile constituents from Romanesco cauliflower,
Food Chem., 2003, 80, 3, 353-358, https://doi.org/10.1016/S0308-8146(02)00272-8
. [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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