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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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 | Col-Elite 5MS | DB-5 | DB-5 | HP-1 |
| Column length (m) | 60. | 30. | 30. | 30. | 50. |
| Carrier gas | Helium | He | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.33 | ||
| Tstart (C) | 40. | 30. | 60. | 60. | 60. |
| Tend (C) | 250. | 246. | 200. | 200. | 250. |
| Heat rate (K/min) | 3. | 3. | 2. | 2. | 2. |
| Initial hold (min) | 1. | 4. | |||
| Final hold (min) | 20. | 20. | 20. | 30. | |
| I | 1352. | 1398. | 1375. | 1379. | 1345. |
| Reference | Sardashti, Valizadeh, et al., 2013 | Gudaityte and Venskutonis R.P., 2007 | Tiwary, Nail, et al., 2007 | Tiwary, Nail, et al., 2007 | Castel, Fernandez, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BPX-5 | SPB-1 | HP-5 | DB-5 | DB-5 |
| Column length (m) | 25. | 50. | 30. | 30. | 30. |
| Carrier gas | Helium | He | Helium | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.2 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.13 | 0.33 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 40. | 40. | 40. |
| Tend (C) | 230. | 220. | 250. | 250. | 250. |
| Heat rate (K/min) | 3. | 4. | 5. | 5. | 5. |
| Initial hold (min) | 2. | 3. | 2. | 2. | 2. |
| Final hold (min) | 30. | 5. | 10. | 10. | |
| I | 1365. | 1365. | 1353. | 1353. | 1353. |
| Reference | Fons, Rapior, et al., 2006 | Wong, Lee, et al., 2005 | N/A | Wu, Krings, et al., 2005 | Wu, Krings, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-5MS | RSL-200 | RSL-200 | SPB-5 |
| Column length (m) | 25. | 30. | 30. | 30. | 30. |
| Carrier gas | He | H2 | H2 | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 40. | 40. | 60. |
| Tend (C) | 180. | 240. | 280. | 280. | 250. |
| Heat rate (K/min) | 3. | 3. | 6. | 6. | 4. |
| Initial hold (min) | 10. | 5. | 5. | 2. | |
| Final hold (min) | 10. | 5. | 5. | 20. | |
| I | 1380. | 1379. | 1365. | 1352. | 1379. |
| Reference | bin Jantan, Ayop, et al., 2004 | paz Lima, Silva, et al., 2004 | Jirovetz, Buchbauer, et al., 2003 | Jirovetz, Buchbauer, et al., 2003, 2 | Pino, Marbot, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | HP-5 | BP-1 | DB-5MS |
| Column length (m) | 30. | 25. | 30. |
| Carrier gas | H2 | N2 | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.50 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 60. |
| Tend (C) | 280. | 220. | 240. |
| Heat rate (K/min) | 3. | 5. | 3. |
| Initial hold (min) | 10. | ||
| Final hold (min) | 10. | 10. | |
| I | 1378. | 1354. | 1379. |
| Reference | Bicalho, Pereira, et al., 2000 | Mallavarapu, Kulkarni, et al., 1999 | Zoghbi, Andrade, et al., 1999 |
| Comment | 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.
Sardashti, Valizadeh, et al., 2013
Sardashti, A.R.; Valizadeh, J.; Adhami, Y.,
Variations in the essential oil composition of Peroskia abrotonolides of different growth stage in Baluchestan,
Middle-East J. Sci. Res., 2013, 13, 6, 781-784. [all data]
Gudaityte and Venskutonis R.P., 2007
Gudaityte, O.; Venskutonis R.P.,
Chemotypes of Achillea millefolium transferred from 14 different locations in Lithuania to the controlled environment,
Biochem. Syst. Ecol., 2007, 35, 9, 582-592, https://doi.org/10.1016/j.bse.2007.03.016
. [all data]
Tiwary, Nail, et al., 2007
Tiwary, M.; Nail, S.N.; Tewary, D.K.; Mittal, P.K.; Yadav, S.,
Chemical composition and larvicidal activities of the essential oil of Zanthoxylum armatum DC (Rutaceae) against three mosquito vectors,
J. Vect. Borne Dis., 2007, 44, 9, 198-204. [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]
Fons, Rapior, et al., 2006
Fons, F.; Rapior, S.; Fruchier, A.,
Volatile composition of Clitocybe amoenolens, Tricholoma caligatum and Hebeloma radicosum,
Cryptogamie, Mycologie, 2006, 27, 1, 45-55. [all data]
Wong, Lee, et al., 2005
Wong, K.C.; Lee, B.C.; Lam, N.F.; Ibrahim, P.,
Essential oils of the rhizomes of Alpinia conchigera Griff. and Alpinia latilabris Ridl.,
Flavour Fragr. J., 2005, 20, 4, 431-433, https://doi.org/10.1002/ffj.1458
. [all data]
Wu, Krings, et al., 2005
Wu, S.; Krings, U.; Zorn, H.; Berger, R.G.,
Volatile compounds from the fruiting bodies of beefsteak fungus Fistulina hepatica (Schaeffer: Fr.) Fr.,
Food Chem., 2005, 92, 2, 221-226, https://doi.org/10.1016/j.foodchem.2004.07.013
. [all data]
bin Jantan, Ayop, et al., 2004
bin Jantan, I.; Ayop, N.; Mohd Ali, N.A.; Ahmad, A.S.; Yalvema, M.F.; Muhammad, K.; Azizi, A.R.,
The essential oils of Cinnamomum rhyncophyllum Miq. as natural sources of benzyl benzoate, safrole and methyl (E)-cinnamate,
Flavour Fragr. J., 2004, 19, 3, 260-262, https://doi.org/10.1002/ffj.1301
. [all data]
paz Lima, Silva, et al., 2004
paz Lima, M.; Silva, T.M.D.; da Silva, J.D.; Zoghbi, M.G.B.; Andrade, E.H.A.,
Essential oil composition of leaf and fine stem of Aniba canelilla (Kunth) Mez from Manaus, Brazil.,
Acta Amazonica, 2004, 34, 2, 329-330, https://doi.org/10.1590/S0044-59672004000200019
. [all data]
Jirovetz, Buchbauer, et al., 2003
Jirovetz, L.; Buchbauer, G.; Shafi, M.P.; Kaniampady, M.M.,
Chemotaxonomical analysis of the essential oil aroma compounds of four different Ocimumspecies from southern India,
Eur. Food Res. Technol., 2003, 217, 2, 120-124, https://doi.org/10.1007/s00217-003-0708-1
. [all data]
Jirovetz, Buchbauer, et al., 2003, 2
Jirovetz, L.; Buchbauer, G.; Shafi, M.P.; Leela, N.K.,
Analysis of the essential oils of the leaves, stems, rhizomes and roots of the medicinal plant Alpinia galanga from southern India,
Acta Pharm. Hung., 2003, 53, 73-81. [all data]
Pino, Marbot, et al., 2002
Pino, J.A.; Marbot, R.; Vazquez, C.,
Characterization of volatiles in Loquat fruit (Eriobotrya japonica Lindl.),
Revista CENIC Ciencias Quimicas, 2002, 33, 3, 115-119. [all data]
Bicalho, Pereira, et al., 2000
Bicalho, B.; Pereira, A.S.; Aquino Neto, F.R.; Pinto, A.C.; Rezende, C.M.,
Application of high-temperature gas chromatography-mass spectrometry to the investigation of glycosidically bound components related to cashew applie (Anacardium occidentale L. Var. nanum) volatiles,
J. Agric. Food Chem., 2000, 48, 4, 1167-1174, https://doi.org/10.1021/jf9909252
. [all data]
Mallavarapu, Kulkarni, et al., 1999
Mallavarapu, G.R.; Kulkarni, R.N.; Baskaran, K.; Rao, L.; Ramesh, S.,
Influence of plant growth stage on the essential oil content and composition in Davana (Artemisia pallens Wall.),
J. Agric. Food Chem., 1999, 47, 1, 254-258, https://doi.org/10.1021/jf980624c
. [all data]
Zoghbi, Andrade, et al., 1999
Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S.,
Volatile constituents from leaves and flowers of Alpinia speciosa K. Schum. and A. purpurata (Viell.) Schum.,
Flavour Fragr. J., 1999, 14, 6, 411-414, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<411::AID-FFJ854>3.0.CO;2-U
. [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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