1-Propanone, 1-(3-thienyl)
- Formula: C7H8OS
- Molecular weight: 140.203
- IUPAC Standard InChI: InChI=1S/C7H8OS/c1-2-7(8)6-3-4-9-5-6/h3-5H,2H2,1H3
- IUPAC Standard InChIKey: QBCICFNKXBQWLN-UHFFFAOYSA-N
- 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: 3-Propionyl-thiophene; 1-(3-thienyl)-1-propanone
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Van Den Dool and Kratz RI, non-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 |
|---|---|---|---|
| Active phase | DB-1 | BP-5 | BP-5 |
| Column length (m) | 20. | 50. | 50. |
| Carrier gas | He | ||
| Substrate | |||
| Column diameter (mm) | 0.18 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.18 | ||
| Tstart (C) | 60. | 60. | 60. |
| Tend (C) | 220. | 250. | 250. |
| Heat rate (K/min) | 8. | 4. | 4. |
| Initial hold (min) | 3. | 5. | |
| Final hold (min) | 5. | ||
| I | 1142. | 1183. | 1183. |
| Reference | Rochat S., de Saint Laumer J.Y., et al., 2007 | Whitfield and Mottram, 2001 | Whitfield and Mottram, 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Rochat S., de Saint Laumer J.Y., et al., 2007
Rochat S.; de Saint Laumer J.Y.; Chaintreau A.,
Analysis of sulfur compounds from the in-oven roast beef aroma by comprehensive two-dimensional gas chromatography,
J. Chromatogr. A, 2007, 1147, 1, 85-94, https://doi.org/10.1016/j.chroma.2007.02.039
. [all data]
Whitfield and Mottram, 2001
Whitfield, F.B.; Mottram, D.S.,
Heterocyclic volatiles formed by heating cysteine or hydrogen sulfide with 4-hydroxy-5-methyl-3(2H)-furanone at pH 6.5,
J. Agric. Food Chem., 2001, 49, 2, 816-822, https://doi.org/10.1021/jf0008644
. [all data]
Whitfield and Mottram, 1999
Whitfield, F.B.; Mottram, D.S.,
Investigation of the reaction between 4-hydroxy-5-methyl-3(2H)-furanone and cysteine or hydrogen sulfide at pH 4.5,
J. Agric. Food Chem., 1999, 47, 4, 1626-1634, https://doi.org/10.1021/jf980980v
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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