Benzyl nitrile
- Formula: C8H7N
- Molecular weight: 117.1479
- IUPAC Standard InChIKey: SUSQOBVLVYHIEX-UHFFFAOYSA-N
- CAS Registry Number: 140-29-4
- 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: Benzyl cyanide; Benzeneacetonitrile; Acetonitrile, phenyl-; α-Cyanotoluene; α-Tolunitrile; ω-Cyanotoluene; Phenylacetonitrile; 2-Phenylacetonitrile; Toluene, α-cyano-; USAF KF-21; (Cyanomethyl)benzene; Phenyl acetyl nitrile; UN 2470; Phenacetonitrile; 2-Phenylethanenitrile; NSC 118418
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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 | Innowax | Carbowax 20M | Carbowax 20M | DB-Wax |
Column length (m) | 50. | 50. | 50. | 25. | 30. |
Carrier gas | Helium | He | Helium | N2 | |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.2 | 0.25 | 0.22 | 0.53 |
Phase thickness (μm) | 0.20 | 0.5 | 0.25 | 0.25 | |
Tstart (C) | 45. | 60. | 40. | 50. | 60. |
Tend (C) | 190. | 250. | 190. | 200. | 210. |
Heat rate (K/min) | 4. | 2. | 4. | 5. | 4. |
Initial hold (min) | 2. | 2. | |||
Final hold (min) | 50. | 60. | 30. | ||
I | 1947. | 1896. | 1946. | 1950. | 1910. |
Reference | Soria, Sanz, et al., 2008 | Bendimerad and Bendiab, 2005 | de la Fuente, Martinez-Castro, et al., 2005 | Agnaniet, Mounzeo, et al., 2003 | Iwatsuki, Mizota, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | Carbowax 20M | PEG-20M | Carbowax 20M | Carbowax 20M |
Column length (m) | 60. | 50. | 50. | 150. |
Carrier gas | He | He | ||
Substrate | ||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.64 |
Phase thickness (μm) | 0.15 | |||
Tstart (C) | 60. | 60. | 60. | 50. |
Tend (C) | 180. | 180. | 180. | 170. |
Heat rate (K/min) | 2. | 2. | 2. | 1. |
Initial hold (min) | 4. | 4. | 4. | 30. |
Final hold (min) | ||||
I | 1871. | 1871. | 1871. | 1920. |
Reference | Kawakami, Ganguly, et al., 1995 | Togari, Kobayashi, et al., 1995 | Kawakami and Kobayashi, 1991 | Buttery, Parker, et al., 1981 |
Comment | MSDC-RI | MSDC-RI | 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]
Bendimerad and Bendiab, 2005
Bendimerad, N.; Bendiab, S.A.T.,
Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria,
J. Agric. Food Chem., 2005, 53, 8, 2947-2952, https://doi.org/10.1021/jf047937u
. [all data]
de la Fuente, Martinez-Castro, et al., 2005
de la Fuente, E.; Martinez-Castro, I.; Sanz, J.,
Characterization of Spanish unifloral honeys by solid phase microextraction and gas chromatography-mass spectrometry,
J. Sep. Sci., 2005, 28, 9-10, 1093-1100, https://doi.org/10.1002/jssc.200500018
. [all data]
Agnaniet, Mounzeo, et al., 2003
Agnaniet, H.; Mounzeo, H.; Menut, C.; Bessiere, J.-M.; Criton, M.,
The essential oils of Rinorea subintegrifolia O. Ktze and Drypetes gossweileri S. Moore occurring in Gabon,
Flavour Fragr. J., 2003, 18, 3, 207-210, https://doi.org/10.1002/ffj.1185
. [all data]
Iwatsuki, Mizota, et al., 1999
Iwatsuki, K.; Mizota, Y.; Kubota, T.; Nishimura, O.; Masuda, H.; Sotoyama, K.; Tomita, M.,
Aroma extract dilution analysis. Evluation of aroma of pasteurized and UHT processed milk by aroma extract dilution analysis,
Nippon Shokuhin Kagaku Kogaku Kaishi, 1999, 46, 9, 587-597, https://doi.org/10.3136/nskkk.46.587
. [all data]
Kawakami, Ganguly, et al., 1995
Kawakami, M.; Ganguly, S.N.; Banerjee, J.; Kobayashi, A.,
Aroma composition of oolong tea and black tea by brewed extraction method and characterizing compounds of Darjeeling tea aroma,
J. Agric. Food Chem., 1995, 43, 1, 200-207, https://doi.org/10.1021/jf00049a037
. [all data]
Togari, Kobayashi, et al., 1995
Togari, N.; Kobayashi, A.; Aishima, T.,
Pattern recognition applied to gas chromatographic profiles of volatile components in three tea categories,
Food Res. Int., 1995, 28, 5, 495-502, https://doi.org/10.1016/0963-9969(95)00029-1
. [all data]
Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A.,
Volatitle constituents of greem mate and roasted mate,
J. Agric. Food Chem., 1991, 39, 7, 1275-1279, https://doi.org/10.1021/jf00007a016
. [all data]
Buttery, Parker, et al., 1981
Buttery, R.G.; Parker, F.D.; Teranishi, R.; Mon, T.R.; Ling, L.C.,
Volatile components of alfalfa leaf-cutter bee cells,
J. Agric. Food Chem., 1981, 29, 5, 955-958, https://doi.org/10.1021/jf00107a017
. [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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