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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Data at other public NIST sites:
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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
View image of digitized spectrum (can be printed in landscape orientation).
Due to licensing restrictions, this spectrum cannot be downloaded.
| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| NIST MS number | 5883 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 | 1379. | Viña and Murillo, 2003 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 0.5 K/min, 250. C @ 10. min |
| Capillary | BP-1 | 1364. | Jain, Srivastava, et al., 2001 | 25. m/0.55 mm/0.25 μm, N2, 5. K/min, 220. C @ 15. min; Tstart: 60. C |
| Capillary | Methyl Silicone | 1343. | Adegoke, Rao, et al., 1998 | 30. m/0.32 mm/0.25 μm, He, 60. C @ 2. min, 2. K/min, 250. C @ 5. min |
Kovats' RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax | 2050. | Viña and Murillo, 2003 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 0.5 K/min, 250. C @ 10. min |
| Capillary | Supelcowax-10 | 2105. | Wong and Teng, 1994 | He, 35. C @ 5. min, 3. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-101 | 1364. | Politeo, Jukic, et al., 2007 | 25. m/0.2 mm/0.2 μm, He, 70. C @ 2. min, 3. K/min, 200. C @ 15. min |
| Capillary | DB-5 | 1380. | bin Jantan, Yalvema, et al., 2005 | 25. m/0.25 mm/0.25 μm, N2, 75. C @ 10. min, 3. K/min, 210. C @ 1. min |
| Capillary | HP-5MS | 1379. | Pino, Mesa, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | SPB-5 | 1379. | Píno, Marbot, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | SPB-5 | 1379. | Pino, Marbot, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | BPX-5 | 1377. | bin Ahmad and bin Jantan, 2003 | 30. m/0.25 mm/0.25 μm, N2, 75. C @ 10. min, 3. K/min, 210. C @ 1. min |
| Capillary | SE-30 | 1350. | bin Jantan, Ayop, et al., 2002 | 25. m/0.25 mm/0.25 μm, N2, 60. C @ 10. min, 3. K/min, 180. C @ 10. min |
| Capillary | DB-5 | 1381. | Isidorov, Zenkevich, et al., 2001 | He, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
| Capillary | HP-5 | 1381. | Lazari, Skaltsa, et al., 2000 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 280. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1392.4 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-20M | 2019. | Politeo, Jukic, et al., 2007 | 50. m/0.2 mm/0.2 μm, He, 70. C @ 4. min, 4. K/min, 180. C @ 15. min |
| Capillary | LM-120 | 2057. | Pinto, Guedes, et al., 2006 | 50. m/0.25 mm/0.5 μm, 3. K/min, 240. C @ 30. min; Tstart: 50. C |
| Capillary | DB-Wax | 2080. | Brophy, Goldsack, et al., 2000 | 60. m/0.53 mm/1.0 μm, He, 3. K/min; Tstart: 50. C; Tend: 220. C |
| Capillary | DB-Wax | 2080. | Brophy, Goldsack, et al., 1999 | He, 3. K/min; Column length: 60. m; Column diameter: 0.53 mm; Tstart: 50. C; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1352. | Sardashti, Valizadeh, et al., 2013 | 60. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 3. K/min, 250. C @ 20. min |
| Capillary | Col-Elite 5MS | 1398. | Gudaityte and Venskutonis R.P., 2007 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 30. C; Tend: 246. C |
| Capillary | DB-5 | 1375. | Tiwary, Nail, et al., 2007 | Helium, 2. K/min, 200. C @ 20. min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C |
| Capillary | DB-5 | 1379. | Tiwary, Nail, et al., 2007 | Helium, 2. K/min, 200. C @ 20. min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C |
| Capillary | HP-1 | 1345. | Castel, Fernandez, et al., 2006 | 50. m/0.2 mm/0.33 μm, He, 60. C @ 4. min, 2. K/min, 250. C @ 30. min |
| Capillary | BPX-5 | 1365. | Fons, Rapior, et al., 2006 | 25. m/0.20 mm/0.13 μm, Helium, 50. C @ 2. min, 3. K/min; Tend: 230. C |
| Capillary | SPB-1 | 1365. | Wong, Lee, et al., 2005 | 50. m/0.2 mm/0.33 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 30. min |
| Capillary | HP-5 | 1353. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | DB-5 | 1353. | Wu, Krings, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min |
| Capillary | DB-5 | 1353. | Wu, Krings, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min |
| Capillary | DB-1 | 1380. | bin Jantan, Ayop, et al., 2004 | 25. m/0.25 mm/0.25 μm, 60. C @ 10. min, 3. K/min, 180. C @ 10. min |
| Capillary | DB-5MS | 1379. | paz Lima, Silva, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | RSL-200 | 1365. | Jirovetz, Buchbauer, et al., 2003 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
| Capillary | RSL-200 | 1352. | Jirovetz, Buchbauer, et al., 2003, 2 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
| Capillary | SPB-5 | 1379. | Pino, Marbot, et al., 2002 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | HP-5 | 1378. | Bicalho, Pereira, et al., 2000 | 30. m/0.25 mm/0.25 μm, H2, 40. C @ 10. min, 3. K/min, 280. C @ 10. min |
| Capillary | BP-1 | 1354. | Mallavarapu, Kulkarni, et al., 1999 | 25. m/0.50 mm/0.25 μm, N2, 5. K/min, 220. C @ 10. min; Tstart: 60. C |
| Capillary | DB-5MS | 1379. | Zoghbi, Andrade, et al., 1999 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 MS | 1354. | Purushothaman and Ravi, 2013 | 30. m/0.25 mm/0.25 μm, Helium; Program: 70 0C 5 0C/min -> 120 0C 10 0C/min -> 280 0C (20 min) |
| Capillary | SLB-5 MS | 1384. | Costa, De Fina, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min) |
| Capillary | SLB-5 MS | 1376. | Costa, De Fina, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | CP Sil 8 CB | 1386. | Meekijjaroenroj, Bessière, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 50C(3min) => 3C/min => 100C => 2.7C/min => 140C => 2.4C/min => 180C => 6C/min => 250C |
| Capillary | Polydimethyl siloxane with 5 % Ph groups | 1379. | Pino, Marbot, et al., 2005 | Program: not specified |
| Capillary | DB-1 | 1379. | Cavalcanti, de Morais, et al., 2004 | He; Column length: 30. m; Column diameter: 0.25 mm; Program: 35C => 4C/min => 180C => 10C/min => 250C |
| Capillary | DB-1 | 1380. | Silva, Santos, et al., 2003 | 30. m/0.25 mm/0.1 μm, He; Program: 35C => 4C/min => 180C => 10C/min => 250C |
| Capillary | DB-5 | 1379. | Isidorov, Zenkevich, et al., 2001 | He; Column length: 30. m; Column diameter: 0.25 mm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax-10 | 2095. | Wong, Lee, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 30. min |
| Capillary | ZB-Wax | 2024. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | ZB-Wax | 2047. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
| Capillary | ZB-Wax | 2046. | Wu, Krings, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min |
| Capillary | DB-Wax | 2047. | Wu, Krings, et al., 2005 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 2. min, 5. K/min, 230. C @ 15. min |
| Capillary | ZB-Wax | 2046. | Wu, Krings, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min |
| Capillary | Innowax | 2096. | Suleimenov, Atazharova, et al., 2003 | He, 60. C @ 10. min, 4. K/min, 220. C @ 10. min; Column length: 60. m; Column diameter: 0.25 mm |
| Capillary | DB-Wax | 2074. | Christoph, 2001 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 45. C; Tend: 240. C |
| Capillary | DB-Wax | 2077. | Werkhoff, Güntert, et al., 1998 | 60. m/0.32 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 220. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax FSC | 2096. | Sezik E., Kocakulak E., et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP-Innowax FSC | 2096. | Erdemoglu, Sener, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Viña and Murillo, 2003
Viña, A.; Murillo, E.,
Essential oil composition from twelve varieties of basil (Ocimum spp) grown in Columbia,
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Adegoke, Rao, et al., 1998
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A comparison of the essential oils of Aframomum daniellii (Hook. f.) K. Schum. and Amomum subulatum Roxb,
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Volatile Components of Mimusops elengi L. Flowers,
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Volatile constituents of Malay rose apple [Syzygium malaccense (L.) Merr. Perry],
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The essential oils of Boesenbergia stenophylla R. M. Sm. as natural sources of methyl (E)-cinnamate,
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Notes
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