2-Propenal, 3-phenyl-
- Formula: C9H8O
- Molecular weight: 132.1592
- IUPAC Standard InChI: InChI=1S/C9H8O/c10-8-4-7-9-5-2-1-3-6-9/h1-8H
- IUPAC Standard InChIKey: KJPRLNWUNMBNBZ-UHFFFAOYSA-N
- CAS Registry Number: 104-55-2
- 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: Cinnamaldehyde; Acrolein, 3-phenyl-; Benzylideneacetaldehyde; Cassia aldehyde; Cinnamal; Cinnamic aldehyde; Cinnamylaldehyde; Phenylacrolein; 3-Phenyl-2-propenal; 3-Phenyl-2-propenaldehyde; 3-Phenylacrolein; 3-Phenylpropenal; NCI-C56111; Zimtaldehyde; Aldehyd skoricovy; 3-Fenylpropenal; 3-Phenylacrylaldehyde; Abion CA; 2-Propenaldehyde, 3-phenyl-; Propenaldehyde, 3-phenyl-; 3-Phenyl-2-propen-1-al; NSC 16935; (E)-Cinnamaldehyde; cinnamaldehyde (3-phenyl-2-propenal); 3-Phenyl-2-propenal (cinnamaldehyde)
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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 | BPX-5 | BPX-5 | BPX-5 | BPX-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Hydrogen | Hydrogen | Hydrogen | Hydrogen |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 100. | 60. | 60. | 60. |
| Tend (C) | 230. | 999. | 999. | 999. | 999. |
| Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1278. | 1303. | 1295. | 1296. | 1297. |
| Reference | Pripdeevech and Saansoomchai, 2013 | Bieri and Marriott, 2008 | Bieri and Marriott, 2008 | Bieri and Marriott, 2008 | Bieri and Marriott, 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BPX-5 | BPX-5 | Equity-5 MS | HP-1 | HP-1 |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | Hydrogen | Hydrogen | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.33 |
| Tstart (C) | 60. | 60. | 40. | 70. | 60. |
| Tend (C) | 999. | 999. | 260. | 200. | 250. |
| Heat rate (K/min) | 3. | 5. | 1.5 | 10. | 2. |
| Initial hold (min) | 4. | ||||
| Final hold (min) | 30. | ||||
| I | 1301. | 1300. | 1273. | 1251. | 1231. |
| Reference | Bieri and Marriott, 2008 | Bieri and Marriott, 2008 | Mondello, Casilli, et al., 2008 | Dongmo, Tatsadjieu, 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 | FSOT-RSL-200 | DB-5 | HP-1 | HP-5 | DB-1 |
| Column length (m) | 30. | 30. | 50. | 30. | 60. |
| Carrier gas | Hydrogen | He | Helium | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.2 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 40. | 60. | 40. | 35. |
| Tend (C) | 280. | 250. | 250. | 250. | 230. |
| Heat rate (K/min) | 6. | 4. | 2. | 5. | 2. |
| Initial hold (min) | 5. | 2. | 60. | 2. | 4. |
| Final hold (min) | 5. | 10. | 5. | 25. | |
| I | 1259. | 1260. | 1235. | 1250. | 1222. |
| Reference | Schmidt, Jirovetz, et al., 2006 | Shen X., Gao Y., et al., 2006 | Fernandez, Lizzani-Cuvelier, et al., 2005 | N/A | Park, Lee, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | DB-1 | CP Sil 8 CB | OV-101 |
| Column length (m) | 60. | 60. | 60. | 30. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 35. | 35. | 35. | 50. | 80. |
| Tend (C) | 230. | 230. | 230. | 200. | 200. |
| Heat rate (K/min) | 2. | 2. | 2. | 10. | 2. |
| Initial hold (min) | 4. | 4. | 4. | 3. | |
| Final hold (min) | 25. | 25. | 25. | 2. | |
| I | 1223. | 1223. | 1227. | 1252. | 1250. |
| Reference | Park, Lee, et al., 2004 | Park, Lee, et al., 2004 | Park, Lee, et al., 2004 | Wang and Guo-Y. -L., 2004 | Egolf and Jurs, 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Ultra-1 |
| Column length (m) | 25. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 80. |
| Tend (C) | 260. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1223. |
| Reference | Okumura, 1991 |
| Comment | 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.
Pripdeevech and Saansoomchai, 2013
Pripdeevech, P.; Saansoomchai, J.,
Antibacterial activity and chemical composition of essential oil and various extracts of Fagraea fragrans Roxb. flowers,
Chiang Mai J. Sci., 2013, 40, 2, 214-223. [all data]
Bieri and Marriott, 2008
Bieri, S.; Marriott, P.J.,
Dual-injection system with multiply injections for determining sidimentional retention indexes in comprehensive two-dimensional gas chromatography,
Anal. Chem., 2008, 80, 3, 760-768, https://doi.org/10.1021/ac071367q
. [all data]
Mondello, Casilli, et al., 2008
Mondello, L.; Casilli, A.; Tranchida, Q.; Sciarrone, D.; Dugo, P.; Dugo, G.,
Analysis of allergens in fragrances using multiple heart-cut multidimentional gas chromatography - mass spectrometry,
LC-GC Europe, 2008, 21, 130. [all data]
Dongmo, Tatsadjieu, et al., 2007
Dongmo, P.M.J.; Tatsadjieu, L.N.; Tchoumbougnang, F.; Sameza, M.L.; Dongmo, B.N.; Zollo, P.H.A.; Menut, C.,
Chemical composition, antiradical and antifungal activities os eeesntioal oil af the leaves of Cinnamomum zeylanicum Blume from Cameroon,
Natural Product Communications, 2007, 2, 12, 1287-1290. [all data]
Castel, Fernandez, et al., 2006
Castel, C.; Fernandez, X.; Lizzani-Cuvelier, L.; Perichet, C.; Lavoine, S.,
Characterization of the Chemical Composition of a Byproduct from Siam Benzoin Gum,
J. Agric. Food Chem., 2006, 54, 23, 8848-8854, https://doi.org/10.1021/jf061193y
. [all data]
Schmidt, Jirovetz, et al., 2006
Schmidt, E.; Jirovetz, L.; Buchbauer, G.; Eller, G.A.; Stoilova, I.; Krastanov, A.; Stoyanova, A.; Geisseler, M.,
Composition and antioxidant activities of the essential oil of cinnamon (Cinnamomum zeylanicum Blume) leaves from Sri Lanka,
Jeobp, 2006, 9, 2, 170-182. [all data]
Shen X., Gao Y., et al., 2006
Shen X.; Gao Y.; Su Q.D.,
Constituents of the essential oil of Rhizoma polygonati,
Flavour Fragr. J., 2006, 21, 3, 556-558, https://doi.org/10.1002/ffj.1666
. [all data]
Fernandez, Lizzani-Cuvelier, et al., 2005
Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.; Perichet, C.; Delbecque, C.; Arnaudo, J.-F.,
Chemical composition of the essential oils from Turkish and Honduras Styrax,
Flavour Fragr. J., 2005, 20, 1, 70-73, https://doi.org/10.1002/ffj.1370
. [all data]
Park, Lee, et al., 2004
Park, B.-S.; Lee, K.-G.; Takeoka, G.R.,
Comparison of three sample preparation methods on the recovery of volatiles from taheebo (Tabebuia impetiginosa Martius ex DC),
Flavour Fragr. J., 2004, 19, 4, 287-292, https://doi.org/10.1002/ffj.1345
. [all data]
Wang and Guo-Y. -L., 2004
Wang, H.-Y.; Guo-Y. -L.,
Rapid analysis of the volatile compounds in the rhizomes of Rhodiola sachalinensis and Rhodiola sacra by static headspace-gas chromatography-tandem mass spectrometry,
Anal. Letters, 2004, 37, 10, 2151-2161, https://doi.org/10.1081/AL-200026690
. [all data]
Egolf and Jurs, 1993
Egolf, L.M.; Jurs, P.C.,
Quantitative structure-retention and structure-odor intensity relationships for a diverse group of odor-active compounds,
Anal. Chem., 1993, 65, 21, 3119-3126, https://doi.org/10.1021/ac00069a027
. [all data]
Okumura, 1991
Okumura, T.,
retention indices of environmental chemicals on methyl silicone capillary column,
Journal of Environmental Chemistry (Japan), 1991, 1, 2, 333-358, https://doi.org/10.5985/jec.1.333
. [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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