Erucin
- Formula: C6H11NS2
- Molecular weight: 161.288
- IUPAC Standard InChI: InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3
- IUPAC Standard InChIKey: IHQDGXUYTSZGOG-UHFFFAOYSA-N
- CAS Registry Number: 4430-36-8
- 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-Isothiocyanatobutyl)(methyl)sulfane; Butane, 1-isothiocyanato-4-(methylthio)-; Isothiocyanic acid, 4-(methylthio)butyl ester; 4-(Methylthio)butyl isothiocyanate; 1-isothiocyanato-4-(methylthio)-butane
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- Other data available:
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Normal alkane RI, polar column, temperature ramp
Go To: Top, References, Notes
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 | HP-20M | HP-20M | CP-Wax 52CB | TC-WAX FFS |
| Column length (m) | 50. | 50. | 30. | 60. |
| Carrier gas | Helium | Helium | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 70. | 70. | 40. | 60. |
| Tend (C) | 180. | 180. | 220. | 240. |
| Heat rate (K/min) | 4. | 4. | 4. | 3. |
| Initial hold (min) | 4. | 4. | 1. | |
| Final hold (min) | ||||
| I | 2041. | 2041. | 2132. | 2135. |
| Reference | Blazevic and Mastelic, 2008 | Blazevic and Mastelic, 2008 | Rohloff and Bones, 2005 | Miyazawa, Maehara, et al., 2002 |
| Comment | MSDC-RI | 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]
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]
Miyazawa, Maehara, et al., 2002
Miyazawa, M.; Maehara, T.; Kurose, K.,
Composition of the essential oil from the leaves of Eruca sativa,
Flavour Fragr. J., 2002, 17, 3, 187-190, https://doi.org/10.1002/ffj.1079
. [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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