Butane, 2-isothiocyanato-
- Formula: C5H9NS
- Molecular weight: 115.197
- IUPAC Standard InChI: InChI=1S/C5H9NS/c1-3-5(2)6-4-7/h5H,3H2,1-2H3
- IUPAC Standard InChIKey: TUFJIDJGIQOYFY-UHFFFAOYSA-N
- CAS Registry Number: 4426-79-3
- 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: Isothiocyanic acid, sec-butyl ester; sec-Butyl Isothiocyanate; 2-Butyl isothiocyanate; 2-Isothiocyanatobutane; 1-Methylpropyl isothiocyanate
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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 |
|---|---|---|---|---|
| Active phase | BP-1 | HP-1 | DB-5 | CP Sil 5 CB |
| Column length (m) | 30. | 50. | 30. | 30. |
| Carrier gas | Nitrogen | Helium | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.20 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 40. |
| Tend (C) | 275. | 250. | 240. | 220. |
| Heat rate (K/min) | 4. | 2. | 3. | 4. |
| Initial hold (min) | 1. | |||
| Final hold (min) | 20. | |||
| I | 937. | 904. | 919. | 925. |
| Reference | Dehshahri, Afsharypuor, et al., 2012 | Breme, Langle, et al., 2008 | Miyazawa, Nishiguchi, et al., 2005 | Rohloff and Bones, 2005 |
| Comment | 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.
Dehshahri, Afsharypuor, et al., 2012
Dehshahri, S.; Afsharypuor, S.; Asghari, G.; Mohagheghzadeh, A.,
Determination of volatile glucosinolate degradation products in seed coat, stem and in vitro cultures of Moringa peregrina (Forssk.) Fiori,
Res. Pharmaceutical Sci., 2012, 7, 1, 51-56. [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]
Miyazawa, Nishiguchi, et al., 2005
Miyazawa, M.; Nishiguchi, T.; Yamafuji, C.,
Volatile components of the leaves of Brassica rapa L. var. perviridis Bailey,
Flavour Fragr. J., 2005, 20, 2, 158-160, https://doi.org/10.1002/ffj.1335
. [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]
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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