Benzene, pentyl-
- Formula: C11H16
- Molecular weight: 148.2447
- IUPAC Standard InChIKey: PWATWSYOIIXYMA-UHFFFAOYSA-N
- CAS Registry Number: 538-68-1
- 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: n-Amylbenzene; n-Pentylbenzene; Amylbenzene; Pentane, 1-phenyl-; Pentylbenzene; 1-Phenyl-n-pentane; 1-Phenylpentane; Phenylpentane; Benzene, n-pentyl-; NSC 73982; 74296-33-6
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Normal alkane RI, non-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 | Polydimethyl siloxane: CP-Sil 5 CB | Petrocol DH | DB-5 | DB-1 | DB-5 |
Column length (m) | 60. | 100. | 30. | 25. | 30. |
Carrier gas | Helium | Helium | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.249 | 0.25 | 0.25 |
Phase thickness (μm) | 1.0 | 0.50 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 45. | 20. | 60. | 50. | 40. |
Tend (C) | 210. | 220. | 290. | 250. | 280. |
Heat rate (K/min) | 3.6 | 15. | 3. | 3. | 8. |
Initial hold (min) | 1.45 | 15. | 3. | ||
Final hold (min) | 2.72 | 30. | |||
I | 1150. | 1145. | 1158. | 1161. | 1167. |
Reference | Bramston-Cook, 2013 | Supelco, 2012 | Bos, Stojanova, et al., 2005 | Cégiéla-Carlioz, Bessière, et al., 2005 | Jelén, Krawczyk, et al., 2005 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | DB-5MS | OV-1 | SPB-5 | SE-54 |
Column length (m) | 30. | 30. | 50. | 25. | |
Carrier gas | H2 | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.2 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.5 | |
Tstart (C) | 40. | 40. | 50. | 60. | 35. |
Tend (C) | 280. | 250. | 160. | 240. | 250. |
Heat rate (K/min) | 4. | 3. | 2. | 3. | 5. |
Initial hold (min) | 1. | 2. | |||
Final hold (min) | 20. | ||||
I | 1158. | 1148. | 1144. | 1158. | 1135. |
Reference | Velickovic, Randjelovic, et al., 2002 | Shoenmakers, Oomen, et al., 2000 | Orav, Kailas, et al., 1999 | Doneanu and Anitescu, 1998 | Bellesia, Pinetti, et al., 1996 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Packed |
---|---|---|---|
Active phase | HP-5 | DB-5 | Apiezon L |
Column length (m) | 30. | 60. | 2. |
Carrier gas | He | He | |
Substrate | Chromosorb G-AW-DMCS | ||
Column diameter (mm) | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | ||
Tstart (C) | 35. | 40. | 25. |
Tend (C) | 300. | 160. | |
Heat rate (K/min) | 10. | 2. | 10. |
Initial hold (min) | 2. | 5. | |
Final hold (min) | 10. | ||
I | 1164.9 | 1168. | 1110. |
Reference | Wang and Fingas, 1995 | Macku and Shibamoto, 1991 | Dahlmann, Köser, et al., 1979 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Bramston-Cook, 2013
Bramston-Cook, R.,
Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]
Bos, Stojanova, et al., 2005
Bos, R.; Stojanova, A.; Woerdenbag, H.J.; Koulman, A.; Quax, W.J.,
Volatile components of the aerial parts of Artemisia pontica L. grown in Bulgaria,
Flavour Fragr. J., 2005, 20, 2, 145-148, https://doi.org/10.1002/ffj.1399
. [all data]
Cégiéla-Carlioz, Bessière, et al., 2005
Cégiéla-Carlioz, P.; Bessière, J.-M.; David, B.; Mariotte, A.-M.; Gibbons, S.; Dijoux-Franca, M.-G.,
Modulation of multi-drug resistance (MDR) in Staphylococcus aureus by Osha (Ligusticum porteri L., Apiaceae) essential oil compounds,
Flavour Fragr. J., 2005, 20, 6, 671-675, https://doi.org/10.1002/ffj.1584
. [all data]
Jelén, Krawczyk, et al., 2005
Jelén, H.H.; Krawczyk, J.; Larsen, T.O.; Jarosz, A.; Golebniak, B.,
Main compounds responsible for off-odour of strawberries infected by Phytophthora cactorum,
Lett. Appl. Microbiol., 2005, 40, 4, 255-259, https://doi.org/10.1111/j.1472-765X.2005.01668.x
. [all data]
Velickovic, Randjelovic, et al., 2002
Velickovic, D.T.; Randjelovic, N.V.; Ristic, M.S.; Smelcerovic, A.A.; Velickovic, A.S.,
Chemical composition and antimicrobial action of the ethanol extracts of Salvia pratensis L., Salvia glutinosa L. and Salvia aethiopis L.,
J. Serb. Chem. Soc., 2002, 67, 10, 639-646, https://doi.org/10.2298/JSC0210639V
. [all data]
Shoenmakers, Oomen, et al., 2000
Shoenmakers, P.J.; Oomen, J.L.M.M.; Blomberg, J.; Genuit, W.; van Velzen, G.,
Comparison of comprehensive two-dimensional gas chromatography and gas chromatography-mass spectrometry for the characterization of complex hydrocarbon mixtures,
J. Chromatogr. A, 2000, 892, 1-2, 29-46, https://doi.org/10.1016/S0021-9673(00)00744-5
. [all data]
Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J.,
Composition of the oil from waste tires. 2. Fraction boiling at 160-180 0C,
Proc. Estonian Acad. Sci. Chem., 1999, 48, 3, 136-140. [all data]
Doneanu and Anitescu, 1998
Doneanu, C.; Anitescu, G.,
Supercritical carbon dioxide extraction of Angelica archangelica L. root oil,
J. Supercrit. Fluids, 1998, 12, 1, 59-67, https://doi.org/10.1016/S0896-8446(97)00040-5
. [all data]
Bellesia, Pinetti, et al., 1996
Bellesia, F.; Pinetti, A.; Bianchi, A.; Tirillini, B.,
Volatile compounds of the white truffle (Tuber magnaturn Pico) from middle Italy,
Flavour Fragr. J., 1996, 11, 4, 239-243, https://doi.org/10.1002/(SICI)1099-1026(199607)11:4<239::AID-FFJ573>3.0.CO;2-A
. [all data]
Wang and Fingas, 1995
Wang, Z.; Fingas, M.,
Differentiation of the source of spilled oil and monitoring of the oil weathering process using gas chromatography-mass spectrometry,
J. Chromatogr. A, 1995, 712, 2, 321-343, https://doi.org/10.1016/0021-9673(95)00546-Y
. [all data]
Macku and Shibamoto, 1991
Macku, C.; Shibamoto, T.,
Volatile sulfur-containing compounds generated from the thermal interaction of corn oil and cysteine,
J. Agric. Food Chem., 1991, 39, 11, 1987-1989, https://doi.org/10.1021/jf00011a021
. [all data]
Dahlmann, Köser, et al., 1979
Dahlmann, G.; Köser, H.J.K.; Oelert, H.H.,
Multiple korrelation von retentionsindizes,
Chromatographia, 1979, 12, 10, 665-671, https://doi.org/10.1007/BF02302943
. [all data]
Notes
Go To: Top, Normal alkane RI, non-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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