Benzenepropanenitrile
- Formula: C9H9N
- Molecular weight: 131.1745
- IUPAC Standard InChI: InChI=1S/C9H9N/c10-8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7H2
- IUPAC Standard InChIKey: ACRWYXSKEHUQDB-UHFFFAOYSA-N
- CAS Registry Number: 645-59-0
- 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. - Other names: 3-Phenylpropionitrile; Hydrocinnamonitrile; β-Phenylethyl cyanide; β-Phenyl propionitrile; (2-Cyanoethyl)benzene; Benzenepropionitrile; 2-Phenylethyl cyanide; 3-Phenylpropanenitrile; Hydrocinnamique nitrile; Phenethyl cyanide; Phenylpropionitrile; 3-Phenylpropiononitrile; Benzenepropanitrile; NSC 16936; 1-Phenyl-2-cyanoethane
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Normal alkane RI, non-polar column, custom temperature program
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 |
|---|---|---|---|---|
| Active phase | HP-1 | DB-5 MS | BPX-5 | Polydimethyl siloxanes |
| Column length (m) | 50. | 30. | 60. | |
| Carrier gas | Helium | Helium | He | |
| Substrate | ||||
| Column diameter (mm) | 0.20 | 0.25 | 0.32 | |
| Phase thickness (μm) | 0.33 | 0.25 | 1. | |
| Program | not specified | 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) | 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min) | not specified |
| I | 1202. | 1250. | 1246. | 1188. |
| Reference | Breme, Langle, et al., 2008 | Cajka, Hajslova, et al., 2007 | Machiels, van Ruth, et al., 2003 | Zenkevich and Chupalov, 1996 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Breme, Langle, et al., 2008
Breme, K.; Langle, S.; Fernandez, X.; Meierhenrich, U.J.; Brevard, H.; Joulain, D.,
Character impact odorants from Brassicaceae by aroma extracts dilution analysis (AEDA): Brassica cretica and Brassica insularis,
Flavour Fragr. J., 2008, 24, 2, 88-93, https://doi.org/10.1002/ffj.1912
. [all data]
Cajka, Hajslova, et al., 2007
Cajka, T.; Hajslova, J.; Cochran, J.; Holadova, K.; Klimankova, E.,
Solid phase microextraction - comprehensive two dimensional gas chromatography - time-of-flight mass spectrometry for the analysis of honey volatiles,
J. Sep. Sci., 2007, 30, 4, 534-546, https://doi.org/10.1002/jssc.200600413
. [all data]
Machiels, van Ruth, et al., 2003
Machiels, D.; van Ruth, S.M.; Posthumus, M.A.; Istasse, L.,
Gas chromatography-olfactometry analysis of the volatile compounds of two commercial Irish beef meats,
Talanta, 2003, 60, 4, 755-764, https://doi.org/10.1016/S0039-9140(03)00133-4
. [all data]
Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A.,
New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments,
Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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