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, 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-Innowax | Supelcowax-10 | ZB-Wax | ZB-Wax | TC-Wax |
| Column length (m) | 50. | 30. | 30. | 30. | 60. |
| Carrier gas | Helium | He | Helium | He | |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.25 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.20 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 45. | 40. | 40. | 40. | 80. |
| Tend (C) | 190. | 250. | 250. | 250. | 240. |
| Heat rate (K/min) | 4. | 3. | 5. | 5. | 3. |
| Initial hold (min) | 2. | 5. | 2. | 2. | 5. |
| Final hold (min) | 50. | 10. | 5. | 10. | |
| I | 2043. | 1978. | 2007. | 2007. | 2046. |
| Reference | Soria, Sanz, et al., 2008 | Vichi, Riu-Aumatell, et al., 2007 | N/A | Wu, Krings, et al., 2005 | Shuichi, Masazumi, et al., 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | Carbowax 20M | CP-Wax 52CB |
| Column length (m) | 80. | 50. |
| Carrier gas | H2 | |
| Substrate | ||
| Column diameter (mm) | 0.2 | 0.32 |
| Phase thickness (μm) | 0.22 | |
| Tstart (C) | 70. | 50. |
| Tend (C) | 170. | 200. |
| Heat rate (K/min) | 2. | 2. |
| Initial hold (min) | 5. | |
| Final hold (min) | ||
| I | 1996. | 2013.2 |
| Reference | Egolf and Jurs, 1993 | Chyau, Chen, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Soria, Sanz, et al., 2008
Soria, A.C.; Sanz, J.; Martinez-Castro, I.,
SPME followed by GC-MS: a powerful technique for qualitative analysis of honey volatiles,
Eur. Food Res. Technol., 2008, 1-12. [all data]
Vichi, Riu-Aumatell, et al., 2007
Vichi, S.; Riu-Aumatell, M.; Mora-Pons, M.; Guadayol, J.M.; Buxaderas, S.; López-Tamames, E.,
Analytical, Nutritional and Clinical Methods. HS-SPME coupled to GC/MS for quality control of Juniperus communis L. berries used for gin aromatization,
Food Chem., 2007, 105, 4, 1748-1754, https://doi.org/10.1016/j.foodchem.2007.03.026
. [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]
Shuichi, Masazumi, et al., 1996
Shuichi, H.; Masazumi, N.; Hiromu, K.; Kiyoshi, F.,
Comparison of volatile compounds berween the crude drugs, Onji-tsutsu and Onji-niki,
Nippon nogei kagaku kaishi, 1996, 70, 2, 151-160. [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]
Chyau, Chen, et al., 1992
Chyau, C.-C.; Chen, S.-Y.; Wu, C.-M.,
Differences of volatile and nonvolatile constituents between mature and ripe guave (Psidium guajava Linn) fruits,
J. Agric. Food Chem., 1992, 40, 5, 846-849, https://doi.org/10.1021/jf00017a028
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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