Octane, 2-methyl-
- Formula: C9H20
- Molecular weight: 128.2551
- IUPAC Standard InChI: InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3
- IUPAC Standard InChIKey: ZUBZATZOEPUUQF-UHFFFAOYSA-N
- CAS Registry Number: 3221-61-2
- 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. - Species with the same structure:
- Other names: 2-Methyloctane; Isononane
- Information on this page:
- Other data available:
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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 | PONA | OV-1 | DB-5 |
| Column length (m) | 60. | 100. | 50. | 100. | 30. |
| Carrier gas | Helium | Helium | Nitrogen | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.20 | 0.32 | 0.25 |
| Phase thickness (μm) | 1.0 | 0.50 | 0.50 | 0.25 | 0.25 |
| Tstart (C) | 45. | 20. | 35. | 30. | 60. |
| Tend (C) | 210. | 220. | 200. | 310. | 320. |
| Heat rate (K/min) | 3.6 | 15. | 2. | 5. | 10. |
| Initial hold (min) | 1.45 | 15. | 15. | ||
| Final hold (min) | 2.72 | 30. | 10. | 5. | 4. |
| I | 868. | 871. | 867. | 876.0 | 858. |
| Reference | Bramston-Cook, 2013 | Supelco, 2012 | Zhang, Ding, et al., 2009 | Krkosova, Kubinec, et al., 2007 | Smelcerovic, Spiteller, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-5 | HP-5MS | HP-5MS | DB-5 | CP Sil 5 CB |
| Column length (m) | 60. | 30. | 30. | 30. | 25. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 0.4 |
| Tstart (C) | 40. | 50. | 50. | 60. | 60. |
| Tend (C) | 230. | 280. | 280. | 300. | 260. |
| Heat rate (K/min) | 3. | 5. | 5. | 3. | 5. |
| Initial hold (min) | 5. | 4. | 4. | 3. | 40. |
| Final hold (min) | 5. | 10. | 10. | ||
| I | 865. | 871. | 868. | 872. | 865. |
| Reference | Vasta, Ratel, et al., 2007 | Kim, Abd El-Aty, et al., 2006 | Kim, El-Aty, et al., 2006 | Ferraz, Limberger, et al., 2005 | Baser, Özek, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | OV-101 | SE-54 |
| Column length (m) | 50. | 50. |
| Carrier gas | Helium | |
| Substrate | ||
| Column diameter (mm) | 0.20 | 0.32 |
| Phase thickness (μm) | 0.50 | |
| Tstart (C) | 30. | 60. |
| Tend (C) | 100. | 200. |
| Heat rate (K/min) | 1. | 4. |
| Initial hold (min) | 6. | 2. |
| Final hold (min) | ||
| I | 862. | 869. |
| Reference | Orav, Kailas, et al., 1999 | Guan, Li, et al., 1995 |
| Comment | 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]
Zhang, Ding, et al., 2009
Zhang, X.; Ding, L.; Sun, Z.; Song, L.; Sun, T.,
Study on quantitative structure-retention relationships for hydrocarbons in FCC gasoline,
Chromatographia, 2009, 70, 3/4, 511-518, https://doi.org/10.1365/s10337-009-1174-0
. [all data]
Krkosova, Kubinec, et al., 2007
Krkosova, Z.; Kubinec, R.; Addova, G.; Jurdakova, H.; Blasko, J.; Ostrovsky, I.; Sojak, L.,
Gas chromatographic - mass spectrometric characterization of monomethylalkanes from fuel diesel,
Petroleum Coal, 2007, 49, 3, 51-62. [all data]
Smelcerovic, Spiteller, et al., 2007
Smelcerovic, A.; Spiteller, M.; Ligon, A.P.; Smelcerovic, Z.; Raabe, N.,
Essential oil composition of Hypericum L. species from Southeastern Serbia and their chemotaxonomy,
Biochem. Syst. Ecol., 2007, 35, 2, 99-113, https://doi.org/10.1016/j.bse.2006.09.012
. [all data]
Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E.,
Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals,
J. Agric. Food Chem., 2007, 55, 12, 4630-4639, https://doi.org/10.1021/jf063432n
. [all data]
Kim, Abd El-Aty, et al., 2006
Kim, M.R.; Abd El-Aty, A.M.; Kim, I.S.; Shim, J.H.,
Determination of volatile flavor components in danggui cultivars by solvent free injection and hydrodistillation followed by gas chromatographic-mass spectrometric analysis,
J. Chromatogr. A, 2006, 1116, 1-2, 259-264, https://doi.org/10.1016/j.chroma.2006.03.060
. [all data]
Kim, El-Aty, et al., 2006
Kim, M.R.; El-Aty, A.M.A.; Choi, J.-H.; Lee, K.B.; Shim, J.H.,
Identification of volatile components in Angelica species using supercritical-CO2 fluid extraction and solid phase microextraction coupled to gas chromatography-mass spectrometry,
Biomedical Chromatography, 2006, 20, 11, 1267-1273, https://doi.org/10.1002/bmc.696
. [all data]
Ferraz, Limberger, et al., 2005
Ferraz, A.B.F.; Limberger, R.P.; Bordignon, S.A.L.; von Poser, G.L.; Henriques, A.T.,
Essential oil composition of six Hypericum species from southern Brazil,
Flavour Fragr. J., 2005, 20, 3, 335-339, https://doi.org/10.1002/ffj.1435
. [all data]
Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Kürkcüoglu, M.; Aytac, Z.; Duman, H.,
Composition of the essential oils of Zosima absinthifolia (Vent.) Link and Ferula elaeochytris Korovin from Turkey,
Flavour Fragr. J., 2000, 15, 6, 371-372, https://doi.org/10.1002/1099-1026(200011/12)15:6<371::AID-FFJ919>3.0.CO;2-Z
. [all data]
Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J.,
Composition of the oil from waste tires. 1. Fraction boiling at yp to 160 0C,
Proc. Estonian Acad. Sci. Chem., 1999, 48, 1, 30-39. [all data]
Guan, Li, et al., 1995
Guan, Y.; Li, L.; Zhou, L.,
Live retention database for compound identification in capillary gas chromatography,
Chin. J. Chromatogr., 1995, 13, 5, 851-857. [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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