2-Propenoic acid, 3-phenyl-
- Formula: C9H8O2
- Molecular weight: 148.1586
- IUPAC Standard InChI: InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)
- IUPAC Standard InChIKey: WBYWAXJHAXSJNI-UHFFFAOYSA-N
- CAS Registry Number: 621-82-9
- 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. - Stereoisomers:
- Other names: Cinnamic acid; Phenylacrylic acid; 3-Phenyl-2-propenoic acid; 3-Phenylacrylic acid; Zimtsaeure; 3-Phenylpropenoic acid; Kyselina skoricove; beta-Phenylacrylic acid; β-Phenylacrylic acid; Cinnamylic acid; NSC 9189; 3-Phenyl-2-propenoic acid (cinnamic acid)
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Normal alkane 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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | HP-1 | HP-1 | HP-1 | HP-1 |
| Column length (m) | 30. | 50. | 50. | 25. | 25. |
| Carrier gas | Helium | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.2 | 0.20 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.5 | ||
| Tstart (C) | 70. | 60. | 60. | 35. | 35. |
| Tend (C) | 200. | 250. | 220. | 250. | 250. |
| Heat rate (K/min) | 3. | 2. | 2. | 4. | 4. |
| Initial hold (min) | 2. | 4. | |||
| Final hold (min) | 18. | 30. | 45. | ||
| I | 1434. | 1386. | 1396. | 1394. | 1394. |
| Reference | Jerkovic and Marijanovic, 2010 | Castel, Fernandez, et al., 2006 | Fernandez, Lizzani-Cuvelier, et al., 2003 | Ong and Acree, 1999 | Ong, Acree, et al., 1998 |
| Comment | MSDC-RI | 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.
Jerkovic and Marijanovic, 2010
Jerkovic, I.; Marijanovic, Z.,
Oak (Quercus frainetto Ten.) honeydaw honey - approach to screening of volatile organic composition and antioxidant capacity (DPPH and FRAP assay),
Molecules, 2010, 15, 5, 3744-3756, https://doi.org/10.3390/molecules15053744
. [all data]
Castel, Fernandez, et al., 2006
Castel, C.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F.,
Volatile constituents of benzoin gums: Siam and Sumatra, part 2. Study of headspace sampling methods,
Flavour Fragr. J., 2006, 21, 1, 59-67, https://doi.org/10.1002/ffj.1502
. [all data]
Fernandez, Lizzani-Cuvelier, et al., 2003
Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Périchet, C.; Delbecque, C.,
Volatile constituents of benzoin gums: Siam and Sumatra. Part 1.,
Flavour Fragr. J., 2003, 18, 4, 328-333, https://doi.org/10.1002/ffj.1230
. [all data]
Ong and Acree, 1999
Ong, P.K.C.; Acree, T.E.,
Similarities in the aroma chemistry of Gewürztraminer variety wines and lychee (Litchi chinesis Sonn.) fruit,
J. Agric. Food Chem., 1999, 47, 2, 665-670, https://doi.org/10.1021/jf980452j
. [all data]
Ong, Acree, et al., 1998
Ong, P.K.C.; Acree, T.E.; Lavin, E.H.,
Characterization of volatiles in rambutan fruit (Nephelium lappaceum L.),
J. Agric. Food Chem., 1998, 46, 2, 611-615, https://doi.org/10.1021/jf970665t
. [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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