2-Propenal, 3-phenyl-
- Formula: C9H8O
- Molecular weight: 132.1592
- 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)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
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 | SLB-5MS | SLB-5MS | SPB-5 | DB-1 | DB-1 |
Column length (m) | 10. | 10. | 30. | 25. | 60. |
Carrier gas | He | N2 | He | ||
Substrate | |||||
Column diameter (mm) | 0.1 | 0.1 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.1 | 0.1 | 0.25 | 0.25 | |
Tstart (C) | 40. | 40. | 60. | 60. | 50. |
Tend (C) | 250. | 250. | 250. | 180. | 250. |
Heat rate (K/min) | 40. | 40. | 4. | 3. | 3.5 |
Initial hold (min) | 2. | 10. | 5. | ||
Final hold (min) | 20. | 10. | |||
I | 1280. | 1298. | 1266. | 1232. | 1249. |
Reference | Mondello, Sciarrone, et al., 2007 | Mondello, Sciarrone, et al., 2007 | Pino, Marbot, et al., 2004 | bin Jantan and bin Ahmad, 2002 | Stashenko, Prada, et al., 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary |
---|---|
Active phase | SE-54 |
Column length (m) | 25. |
Carrier gas | He |
Substrate | |
Column diameter (mm) | 0.32 |
Phase thickness (μm) | 0.15 |
Tstart (C) | 40. |
Tend (C) | 280. |
Heat rate (K/min) | 5. |
Initial hold (min) | 1. |
Final hold (min) | 15. |
I | 1259.5 |
Reference | Shapi and Hesso, 1990 |
Comment | 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.
Mondello, Sciarrone, et al., 2007
Mondello, L.; Sciarrone, D.; Casilli, A.; Tranchida, P.Q.; Dugo, P.; Dugo, G.,
Fast gas chromatography-full scan quadrupole mass spectrometry for the determination of allergens in fragrances,
J. Sep. Sci., 2007, 30, 12, 1905-1911, https://doi.org/10.1002/jssc.200600541
. [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 Jantan and bin Ahmad, 2002
bin Jantan, I.; bin Ahmad, F.,
Chemical constituents of the essential oils of Goniothalamus malayanus Hook. f. and Thoms.,
Flavour Fragr. J., 2002, 17, 5, 372-374, https://doi.org/10.1002/ffj.1107
. [all data]
Stashenko, Prada, et al., 1996
Stashenko, E.E.; Prada, N.Q.; Martínez, J.R.,
HRGC/FID/NP and HRGC/MSD study of Colombian Ylang-Ylang (Cananga odorata) oils obtained by different extraction techniques,
J. Hi. Res. Chromatogr., 1996, 19, 6, 353-358, https://doi.org/10.1002/jhrc.1240190609
. [all data]
Shapi and Hesso, 1990
Shapi, M.M.; Hesso, A.,
Thermal decomposition of polystyrene volatile compounds from large-scale pyrolysis,
J. Anal. Appl. Pyrolysis, 1990, 18, 2, 143-161, https://doi.org/10.1016/0165-2370(90)80004-8
. [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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.