CH3CH2CH2SCH2CH=CH2
- Formula: C6H12S
- Molecular weight: 116.224
- IUPAC Standard InChI: InChI=1S/C6H12S/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3
- IUPAC Standard InChIKey: JMLIYQJQKZYHDQ-UHFFFAOYSA-N
- CAS Registry Number: 27817-67-0
- 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: Allyl-n-propyl sulfide; Allyl propyl sulfide; 1-Propene, 3-(propylthio)-; Propyl allyl sulfide; Sulfide, allyl propyl; n-Propyl allyl sulfide; Allyl(propyl)sulfane; 4-thia-1-heptene; 2-propenyl propyl sulfide; 3-(propylthio)propene
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Van Den Dool and Kratz RI, non-polar column, custom temperature program
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 |
|---|---|---|
| Active phase | HP-5MS | SPB-1 |
| Column length (m) | 30. | 30. |
| Carrier gas | He | N2 |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 4.0 |
| Program | 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) | 40 0C (10 min), 2 0C/min to 180 0C, 25 0C/min to 250 0C (5 min) |
| I | 872. | 825. |
| Reference | Andriamaharavo, 2014 | Mochizuki, Yamamoto, 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.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Mochizuki, Yamamoto, et al., 1998
Mochizuki, E.; Yamamoto, T.; Komiyama, Y.; Nakazawa, H.,
Identification of allium products using flame photometric detection gas chromatography and distribution patterns of volatile sulfur compounds,
J. Agric. Food Chem., 1998, 46, 12, 5170-5176, https://doi.org/10.1021/jf9803076
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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