Benzene, n-butyl-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChIKey: OCKPCBLVNKHBMX-UHFFFAOYSA-N
- CAS Registry Number: 104-51-8
- 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: 1-Phenylbutane; n-Butylbenzene; Butylbenzene; UN 2709; Benzene, butyl-; 1-butylbenzene
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Normal alkane RI, 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 | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | DB-Wax | Supelcowax-10 | DB-Wax | Supelcowax-10 |
Column length (m) | 60. | 60. | 30. | 60. | 30. |
Carrier gas | Helium | Helium | He | He | |
Substrate | |||||
Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.2 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C | 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) | 40C(3min) => 4C/min => 75C => 8C/min => 250C(5min) | 40C(3min) => 2C/min => 150C => 4C/min => 220C(20min) => 5C/min => 230C | 40C(3min) => 4C/min => 75C => 8C/min => 250C |
I | 1310. | 1312. | 1319. | 1310. | 1297. |
Reference | Gyawali and Kim, 2012 | Gyawali and Kim, 2009 | Vichi, Guadayol, et al., 2007 | Gyawalia, Seo, et al., 2006 | Vichi, Pizzale, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Carbowax 20M | Carbowax 20M | FFAP | FFAP |
Column length (m) | 60. | 50. | 50. | ||
Carrier gas | Helium | N2 | N2 | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.2 | 0.2 | ||
Phase thickness (μm) | 0.25 | 0.33 | 0.33 | ||
Program | 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C | not specified | not specified | 70C(1min) => 3C/min => 142C(2min) => 25C/min => 230C(5min) | 70C (1min) => 3C/min => 142C (2min) => 25C/min => 230C (5min) |
I | 1310. | 1309. | 1284. | 1338. | 1338. |
Reference | Kim. J.H., Ahn, et al., 2004 | Cornwell and Cordano, 2003 | Ivanciuc, Ivanciuc, et al., 2001 | Lopez, Lavilla, et al., 2000 | López, Lavilla, et al., 1998 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | PEG-20M | DB-Wax | DB-Wax | Carbowax 20M |
Column length (m) | 30. | ||||
Carrier gas | |||||
Substrate | |||||
Column diameter (mm) | 0.53 | ||||
Phase thickness (μm) | 1.0 | ||||
Program | 40 0C (4 min) 4 0C/min -> 200 0C (20 min) | not specified | not specified | not specified | not specified |
I | 1312. | 1309. | 1312. | 1316. | 1291. |
Reference | Peng, 1996 | Xiuhua, Zhang, et al., 1996 | Peng, Yang, et al., 1991 | Peng, Yang, et al., 1991 | Dimov and Mekenyan, 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Gyawali and Kim, 2012
Gyawali, R.; Kim, K.-S.,
Bioactive volatile compounds of three medicinal plants from Nepal,
Kathmandu Univ. J. Sci., Engineering and Technol., 2012, 8, 1, 51-62. [all data]
Gyawali and Kim, 2009
Gyawali, R.; Kim, K.-S.,
Volatile organic compounds of medicinal values from Nepalese Acorus calamus L.,
Kathmandu Univ. J. Sci. Eng. Technol., 2009, 5, II, 51-65. [all data]
Vichi, Guadayol, et al., 2007
Vichi, S.; Guadayol, J.M.; Caixach, J.; López-Tamames, E.; Buxaderas, S.,
Analytical, Nutritional, and Clinical Methods. Comparative study of different extraction techniques for the analysis of virgin olive oil aroma,
Food Chem., 2007, 105, 3, 1171-1178, https://doi.org/10.1016/j.foodchem.2007.02.018
. [all data]
Gyawalia, Seo, et al., 2006
Gyawalia, R.; Seo, H.-Y.; Lee, H.-J.; Song, H.-P.; Kim, D.-H.; Byun, M.-W.; Kim, K.-S.,
Effect of γ-irradiation on volatile compounds of dried Welsh onion (Allium fistulosum L.),
Radiat. Phys. Chem., 2006, 75, 2, 322-328, https://doi.org/10.1016/j.radphyschem.2005.07.001
. [all data]
Vichi, Pizzale, et al., 2005
Vichi, S.; Pizzale, L.; Conte, L.S.; Buxaderas, S.; L´opez-Tamames, E.,
Simultaneous determination of volatile and semi-volatile aromatic hydrocarbons in virgin olive oil by headspace solid-phase microextraction coupled to gas chromatography/mass spectrometry,
J. Chromatogr. A, 2005, 1090, 1-2, 146-154, https://doi.org/10.1016/j.chroma.2005.07.007
. [all data]
Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W.,
Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce,
Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6
. [all data]
Cornwell and Cordano, 2003
Cornwell, E.; Cordano, G.,
Nueva proposicion para predecir datos de retencion obtenidos mediante cromatografia de gases de hidrocarburos derivados de las naftas,
Revista de la Sociedad Quimica de Mexico, 2003, 47, 1, 38-43. [all data]
Ivanciuc, Ivanciuc, et al., 2001
Ivanciuc, O.; Ivanciuc, T.; Klein, D.J.; Seitz, W.A.; Balaban, A.T.,
Quantitative structure-retention relationships for gas chromatographic retention indices of alkylbenzenes with molecular graph descriptors,
SAR QSAR Environ. Res., 2001, 11, 5-6, 419-452, https://doi.org/10.1080/10629360108035362
. [all data]
Lopez, Lavilla, et al., 2000
Lopez, M.L.; Lavilla, M.T.; Recasens, I.; Graell, J.; Vendrell, M.,
Changes in aroma quality of 'Golden Delicious' apples after storage at different oxygen and carbon dioxide concentrations,
J. Sci. Food Agric., 2000, 80, 3, 311-324, https://doi.org/10.1002/1097-0010(200002)80:3<311::AID-JSFA519>3.0.CO;2-F
. [all data]
López, Lavilla, et al., 1998
López, M.L.; Lavilla, T.; Recasens, I.; Riba, M.; Vendrell, M.,
Influence of different oxygen and carbon dioxide concentrations during storage on production of volatile compounds by Starking delicious apples,
J. Agric. Food Chem., 1998, 46, 2, 634-643, https://doi.org/10.1021/jf9608938
. [all data]
Peng, 1996
Peng, C.T.,
Gas chromatographic identification of aromatic hydrocarbons
in Liquid Scintillation Spectrometry, Cook, G.T.; Harkness, D.D.; MacKenzie, A.B.; Miller, B.F.; Scott, E.M., ed(s)., 1996, 221-232. [all data]
Xiuhua, Zhang, et al., 1996
Xiuhua, Zh.; Zhang, L.; Che, X.,
Prediction of the Kovats retention indexes of polysubstituted alkylbenzenes,
Chin. J. Chromatogr., 1996, 14, 4, 244-248. [all data]
Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F.,
Prediction of rentention idexes. II. Structure-retention index relationship on polar columns,
J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F
. [all data]
Dimov and Mekenyan, 1989
Dimov, N.; Mekenyan, Ov.,
Quantitative Relationships Between the Structure of Alkylbenzenes and Their Gas Chromatographic Retention on Stationary Phasses with Different Polarity,
J. Chromatogr., 1989, 471, 227-236, https://doi.org/10.1016/S0021-9673(00)94170-0
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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