2-Phenylpropenal

Formula: C₉H₈O
Molecular weight: 132.1592
IUPAC Standard InChI: InChI=1S/C9H8O/c1-8(7-10)9-5-3-2-4-6-9/h2-7H,1H2
IUPAC Standard InChIKey: ZFBRJUBOJXNIQM-UHFFFAOYSA-N
CAS Registry Number: 4432-63-7
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: Benzeneacetaldehyde, α-methylene-; Atropaldehyde; α-Phenylacrolein; 2-phenyl-2-propenal
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Other data available:
- Mass spectrum (electron ionization)
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, custom temperature program

Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1161.	Alissandrakis E., Tarantilis P.A., et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 3C/min => 160C => 10C/min => 200C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	SE-54	1147.6	Shapi and Hesso, 1990	25. m/0.32 mm/0.15 μm, He, 40. C @ 1. min, 5. K/min, 280. C @ 15. min
Capillary	SE-54	1147.6	Shapi and Hesso, 1990	25. m/0.32 mm/0.15 μm, He, 40. C @ 1. min, 5. K/min, 280. C @ 15. min

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	CP-WAX 57CB	1776.	Baltes and Mevissen, 1988	He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; T_end: 210. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	1152.	Kim and Chung, 2009	30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 2. K/min, 195. C @ 30. min
Capillary	DB-1	1150.	Rapior, Konska, et al., 2000	25. m/0.25 mm/0.13 μm, He, 60. C @ 2. min, 4. K/min; T_end: 200. C

References

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Alissandrakis E., Tarantilis P.A., et al., 2007
Alissandrakis E.; Tarantilis P.A.; Harizanis P.C.; Polissiou M., Comparison of the volatile composition in thyme honeys from several origins in Greece, J. Agric. Food Chem., 2007, 55, 20, 8152-8157, https://doi.org/10.1021/jf071442y . [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]

Baltes and Mevissen, 1988
Baltes, W.; Mevissen, L., Model reactions on roast aroma formation. VI. Volatile reaction products from the reaction of phenylalanine with glucose during cooking and roasting, Z. Lebensm. Unters. Forsch., 1988, 187, 3, 209-214, https://doi.org/10.1007/BF01043341 . [all data]

Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y., GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit, J. Korean Soc. Appl. Biol. Chem., 2009, 52, 5, 516-524, https://doi.org/10.3839/jksabc.2009.088 . [all data]

Rapior, Konska, et al., 2000
Rapior, S.; Konska, G.; Guillot, J.; Andary, C.; Bessiere, J.-M., Volatile composition of Laetiporus sulphureus, Cryptogamie, Mycol., 2000, 21, 1, 67-72, https://doi.org/10.1016/S0181-1584(00)00109-3 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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