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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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
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| 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. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center, 1994 |
| NIST MS number | 133307 |
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 1435. | Chassagne, Boulanger, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2, 2. K/min; Tstart: 40. C; Tend: 200. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-351 | 2830. | Bonvehí, 2005 | 50. m/0.32 mm/0.2 μm, He, 5. K/min; Tstart: 60. C; Tend: 220. C |
| Capillary | DB-Wax | 2845. | Chassagne, Boulanger, et al., 1999 | 30. m/0.25 mm/0.25 μm, H2, 60. C @ 3. min, 2. K/min; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1434. | Jerkovic and Marijanovic, 2010 | 30. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min |
| Capillary | HP-1 | 1386. | 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 | HP-1 | 1396. | Fernandez, Lizzani-Cuvelier, et al., 2003 | 50. m/0.2 mm/0.5 μm, He, 2. K/min, 220. C @ 45. min; Tstart: 60. C |
| Capillary | HP-1 | 1394. | Ong and Acree, 1999 | 4. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 35. C; Tend: 250. C |
| Capillary | HP-1 | 1394. | Ong, Acree, et al., 1998 | 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | CP Sil 5 CB | 1395. | Guyot, Scheirman, et al., 1999 | He; Column length: 50. m; Column diameter: 0.32 mm; Program: 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax | 2852. | Ong and Acree, 1999 | 4. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 35. C; Tend: 250. C |
| Capillary | HP-Innowax | 2852. | Ong and Acree, 1998 | 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C |
| Capillary | HP-Innowax | 2852. | Ong, Acree, et al., 1998 | 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 2869. | Mayorga, Knapp, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min) |
| Capillary | FFAP | 2801. | Lambert, Demazeau, et al., 1999 | 30. m/0.32 mm/0.25 μm; Program: not specified |
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.
Chassagne, Boulanger, et al., 1999
Chassagne, D.; Boulanger, R.; Crouzet, J.,
Enzymatic hydrolysis of edible Passiflora fruit glycosides,
Food Chem., 1999, 66, 3, 281-288, https://doi.org/10.1016/S0308-8146(99)00044-8
. [all data]
Bonvehí, 2005
Bonvehí, J.S.,
Investigation of aromatic compounds in roasted cocoa powder,
Eur. Food Res. Technol., 2005, 221, 1-2, 19-29, https://doi.org/10.1007/s00217-005-1147-y
. [all data]
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]
Guyot, Scheirman, et al., 1999
Guyot, C.; Scheirman, V.; Collin, S.,
Floral origin markers of heather honeys: Calluna vulgaris and Erica arborea,
Food Chem., 1999, 64, 1, 3-11, https://doi.org/10.1016/S0308-8146(98)00122-8
. [all data]
Ong and Acree, 1998
Ong, P.K.C.; Acree, T.E.,
Gas chromatography/olfactory analysis of lychee (Litchi chinesis Sonn.),
J. Agric. Food Chem., 1998, 46, 6, 2282-2286, https://doi.org/10.1021/jf9801318
. [all data]
Mayorga, Knapp, et al., 2001
Mayorga, H.; Knapp, H.; Winterhalter, P.; Duque, C.,
Glycosidically bound flavor compounds of cape gooseberry (Physalis peruviana L.),
J. Agric. Food Chem., 2001, 49, 4, 1904-1908, https://doi.org/10.1021/jf0011743
. [all data]
Lambert, Demazeau, et al., 1999
Lambert, Y.; Demazeau, G.; Largeteau, A.; Bouvier, J.-M.,
Changes in aromatic volatile composition of strawberry after high pressure treatment,
Food Chem., 1999, 67, 1, 7-16, https://doi.org/10.1016/S0308-8146(99)00084-9
. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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