Butane, 1-isothiocyanato-
- Formula: C5H9NS
- Molecular weight: 115.197
- IUPAC Standard InChI: InChI=1S/C5H9NS/c1-2-3-4-6-5-7/h2-4H2,1H3
- IUPAC Standard InChIKey: LIMQQADUEULBSO-UHFFFAOYSA-N
- CAS Registry Number: 592-82-5
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: Isothiocyanic acid, butyl ester; Butyl isothiocyanate; Butyl mustard oil; n-Butyl isothiocyanate; Isothiocyanic acid n-butyl ester; 1-Isothiocyanatobutane
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Van Den Dool and Kratz RI, non-polar column, custom temperature program
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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 |
|---|---|---|
| Active phase | HP-5 | DB-5 |
| Column length (m) | 30. | 25. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Program | 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min) | 60C => 3C/min => 106C => 6C/min => 280C |
| I | 946. | 943. |
| Reference | Engel, Baty, et al., 2002 | Afsharypuor, Jeiran, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Engel, Baty, et al., 2002
Engel, E.; Baty, C.; le Corre, D.; Souchon, I.; Martin, N.,
Flavor-active compounds potentially implicated in cooked cauliflower acceptance,
J. Agric. Food Chem., 2002, 50, 22, 6459-6467, https://doi.org/10.1021/jf025579u
. [all data]
Afsharypuor, Jeiran, et al., 1998
Afsharypuor, S.; Jeiran, K.; Jazy, A.A.,
First investigation of the flavour profiles of the leaf, ripe fruit and root of Capparis spinosa var. mucronifolia from Iran,
Pharm. Acta Helv., 1998, 72, 5, 307-309, https://doi.org/10.1016/S0031-6865(97)00023-X
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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