2-Propenoic acid, 3-phenyl-, methyl ester, (E)-
- Formula: C10H10O2
- Molecular weight: 162.1852
- IUPAC Standard InChI: InChI=1S/C10H10O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-8H,1H3/b8-7+
- IUPAC Standard InChIKey: CCRCUPLGCSFEDV-BQYQJAHWSA-N
- CAS Registry Number: 1754-62-7
- 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, methyl ester, (E)-; (E)-Methyl cinnamate; trans-Methyl cinnamate; trans-Methyl 3-phenyl-2-propenoate; Methyl (E)-cinnamate; Methyl trans-cinnamate; trans-Cinnamic acid methyl ester; Methyl (E)-3-phenylprop-2-enoate; Methyl (E)-3-phenylpropenoate; Methyl cinnamate, (E); (E)-3-Phenylacrylic acid methyl ester; Methyl (E)-3-phenyl-2-propenoate; Methyl trans-3-phenyl-2-propenoate; Methyl (2E)-3-phenyl-2-propenoate; 925685-28-5
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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 | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-101 | DB-5 | HP-5MS | SPB-5 | SPB-5 |
| Column length (m) | 25. | 25. | 30. | 30. | 30. |
| Carrier gas | He | N2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 75. | 60. | 60. | 60. |
| Tend (C) | 200. | 210. | 250. | 250. | 250. |
| Heat rate (K/min) | 3. | 3. | 4. | 4. | 4. |
| Initial hold (min) | 2. | 10. | 2. | 2. | 2. |
| Final hold (min) | 15. | 1. | 20. | 20. | 20. |
| I | 1364. | 1380. | 1379. | 1379. | 1379. |
| Reference | Politeo, Jukic, et al., 2007 | bin Jantan, Yalvema, et al., 2005 | Pino, Mesa, et al., 2005 | Píno, Marbot, et al., 2004 | Pino, Marbot, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | BPX-5 | SE-30 | DB-5 | HP-5 |
| Column length (m) | 30. | 25. | 30. | 30. |
| Carrier gas | N2 | N2 | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 75. | 60. | 50. | 50. |
| Tend (C) | 210. | 180. | 250. | 280. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. |
| Initial hold (min) | 10. | 10. | 5. | |
| Final hold (min) | 1. | 10. | ||
| I | 1377. | 1350. | 1381. | 1381. |
| Reference | bin Ahmad and bin Jantan, 2003 | bin Jantan, Ayop, et al., 2002 | Isidorov, Zenkevich, et al., 2001 | Lazari, Skaltsa, et al., 2000 |
| Comment | MSDC-RI | 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.
Politeo, Jukic, et al., 2007
Politeo, O.; Jukic, M.; Milos, M.,
Chemical composition and antioxidant capacity of free volatile aglycones from basil (Ocimum basilicum L.) compared with its essential oil,
Food Chem., 2007, 101, 1, 379-385, https://doi.org/10.1016/j.foodchem.2006.01.045
. [all data]
bin Jantan, Yalvema, et al., 2005
bin Jantan, I.; Yalvema, M.F.; Ayop, N.; Ahmad, A.S.,
Constituents of the essential oils of Cinnamomum sintoc Blume from a mountain forest of Peninsular Malaysia,
Flavour Fragr. J., 2005, 20, 6, 601-604, https://doi.org/10.1002/ffj.1495
. [all data]
Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
Píno, Marbot, et al., 2004
Píno, J.A.; Marbot, R.; Vázquez, C.,
Volatile components of the fruits of Vangueria madagascariensis J. F. Gmel. from Cuba,
J. Essent. Oil Res., 2004, 16, 4, 302-304, https://doi.org/10.1080/10412905.2004.9698727
. [all data]
Pino, Marbot, et al., 2004
Pino, J.A.; Marbot, R.; Rosado, A.; Vázquez, C.,
Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry],
Flavour Fragr. J., 2004, 19, 1, 32-35, https://doi.org/10.1002/ffj.1269
. [all data]
bin Ahmad and bin Jantan, 2003
bin Ahmad, F.; bin Jantan, I.,
The essential oils of Boesenbergia stenophylla R. M. Sm. as natural sources of methyl (E)-cinnamate,
Flavour Fragr. J., 2003, 18, 6, 485-486, https://doi.org/10.1002/ffj.1227
. [all data]
bin Jantan, Ayop, et al., 2002
bin Jantan, I.; Ayop, N.; Hiong, A.B.; Ahmad, A.S.,
Chemical composition of the essential oils of Cinnamomum cordatum Kosterm,
Flavour Fragr. J., 2002, 17, 3, 212-214, https://doi.org/10.1002/ffj.1075
. [all data]
Isidorov, Zenkevich, et al., 2001
Isidorov, V.A.; Zenkevich, I.G.; Krajewska, U.; Dubis, E.N.; Jaroszynska, J.; Bal, K.,
Gas chromatographic analysis of essential oils with preliminary partition of components,
Phytochem. Anal., 2001, 12, 2, 87-90, https://doi.org/10.1002/pca.564
. [all data]
Lazari, Skaltsa, et al., 2000
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T.,
Volatile constituents of Cerastium candidissimum, a Greek endemic species,
Flavour Fragr. J., 2000, 15, 3, 174-176, https://doi.org/10.1002/1099-1026(200005/06)15:3<174::AID-FFJ886>3.0.CO;2-Y
. [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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