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, 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 |
|---|---|---|---|
| Active phase | HP-20M | HP-20M | HP-20M |
| Column length (m) | 50. | 50. | 50. |
| Carrier gas | Helium | Helium | Helium |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.20 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.20 |
| Tstart (C) | 70. | 70. | 60. |
| Tend (C) | 180. | 180. | 220. |
| Heat rate (K/min) | 4. | 4. | 2. |
| Initial hold (min) | 4. | 4. | |
| Final hold (min) | 20. | ||
| I | 1850. | 1851. | 1857. |
| Reference | Blazevic and Mastelic, 2008 | Blazevic and Mastelic, 2008 | Breme, Langle, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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]
Notes
Go To: Top, Normal alkane RI, 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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