o-Cymene
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChI: InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3
- IUPAC Standard InChIKey: WWRCMNKATXZARA-UHFFFAOYSA-N
- CAS Registry Number: 527-84-4
- 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: Benzene, 1-methyl-2-(1-methylethyl)-; o-Cymol; o-Isopropyltoluene; 1-Isopropyl-2-methylbenzene; 1-Methyl-2-isopropylbenzene; 2-Isopropyltoluene; 1-Methyl-2-(1-methylethyl)-benzene; Cymene, ortho; UN 2046; 1-(1-methylethyl)-2-methylbenzene; 1-methyl,2-n-isopropylbenzene; ortho-Cymene
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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 | HP-5 MS | HP-1 | HP-5 MS | Petrocol DH |
| Column length (m) | 60. | 60. | 30. | 30. | 100. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 1.0 | 0.25 | 0.25 | 0.25 | 0.50 |
| Tstart (C) | 45. | 40. | 60. | 35. | 20. |
| Tend (C) | 210. | 250. | 240. | 300. | 220. |
| Heat rate (K/min) | 3.6 | 3. | 3. | 3. | 15. |
| Initial hold (min) | 1.45 | 1. | 5. | 15. | |
| Final hold (min) | 2.72 | 20. | 15. | 30. | |
| I | 1032. | 1015. | 1021. | 1022. | 1028. |
| Reference | Bramston-Cook, 2013 | Sardashti, Valizadeh, et al., 2013 | Alizadeh and Shaabani, 2012 | Kotowska, Zalikowski, et al., 2012 | Supelco, 2012 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | VF-5 MS | VF-5 MS | DB-1 | HP-5 MS |
| Column length (m) | 30. | 60. | 60. | 25. | 30. |
| Carrier gas | Helium | Helium | Helium | Nitrogen | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 30. | 30. | 60. | 100. |
| Tend (C) | 240. | 260. | 260. | 250. | 220. |
| Heat rate (K/min) | 3. | 2. | 2. | 4. | 2. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 28. | 28. | 10. | ||
| I | 1022. | 1035. | 1038. | 1017. | 1024. |
| Reference | Karimi, Farmani, et al., 2011 | Leffingwell and Alford, 2011 | Leffingwell and Alford, 2011 | Mirjalili, Salehi, et al., 2010 | Pripdeevech, Chumpolsri, et al., 2010 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 MS | DB-1 | HP-5 MS | VF-1 MS | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 35. | 60. | 45. |
| Tend (C) | 240. | 220. | 195. | 280. | 250. |
| Heat rate (K/min) | 3. | 4. | 2. | 4. | 3. |
| Initial hold (min) | 2. | 5. | 5. | 3. | |
| Final hold (min) | 2. | 30. | 10. | 5. | |
| I | 1022. | 1009. | 1021. | 1014. | 1022. |
| Reference | Silva, Pott, et al., 2010 | Xu, Tang, et al., 2010 | Kim and Chung, 2009 | Marchesini, Prada, et al., 2009 | Porto, Decorti, et al., 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-5 MS | HP-5MS | DB-5 |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | Nitrogen | Helium | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 70. | 60. | 50. | 60. | 35. |
| Tend (C) | 220. | 250. | 300. | 280. | 220. |
| Heat rate (K/min) | 3. | 5. | 5. | 3. | 3. |
| Initial hold (min) | 1. | 5. | |||
| Final hold (min) | 10. | 5. | 40. | ||
| I | 1020. | 1028. | 1021. | 1020. | 1020. |
| Reference | Awadi Ali, Wurster, et al., 2008 | Mosayebi, Amin, et al., 2008 | Noudogbessi, Yedomonhan, et al., 2008 | Bozin B., Mlmica-Dukic N., et al., 2007 | El-Ghorab A., El-Massry K.F., et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | DB-1 | RTX-5 | DB-5 |
| Column length (m) | 60. | 50. | 60. | 10. | 30. |
| Carrier gas | Nitrogen | He | Nitrogen | He | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.18 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.2 | |
| Tstart (C) | 60. | 95. | 60. | 40. | 60. |
| Tend (C) | 250. | 240. | 250. | 275. | 200. |
| Heat rate (K/min) | 4. | 4. | 4. | 50. | 2. |
| Initial hold (min) | 1. | 1. | 0.5 | ||
| Final hold (min) | 10. | 10. | 0.5 | 20. | |
| I | 1016. | 1019. | 1016. | 1027. | 1012. |
| Reference | Ghasempour, Shirinpour, et al., 2007 | Pala-Paul, Brophy, et al., 2007 | Reza, Ebrahim, et al., 2007 | Setkova, Risticevic, et al., 2007 | Tiwary, Nail, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5MS | HP-5MS | DB-5 | SPB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | Helium | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 1. | |
| Tstart (C) | 60. | 50. | 50. | 60. | 40. |
| Tend (C) | 200. | 280. | 280. | 260. | 230. |
| Heat rate (K/min) | 2. | 5. | 10. | 5. | 3. |
| Initial hold (min) | 4. | 2. | 5. | ||
| Final hold (min) | 20. | 10. | |||
| I | 1022. | 1029. | 1039. | 1028. | 1029. |
| Reference | Tiwary, Nail, et al., 2007 | Kim, Abd El-Aty, et al., 2006 | Romanenko and Tkachev, 2006 | Sabulal, Dan, et al., 2006 | Cornu, Kondjoyan, 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-5 | RSL-200 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 40. | 40. | 60. | 60. |
| Tend (C) | 300. | 280. | 280. | 240. | 240. |
| Heat rate (K/min) | 5. | 8. | 6. | 3. | 3. |
| Initial hold (min) | 5. | 2. | |||
| Final hold (min) | 5. | 10. | |||
| I | 1020. | 1033. | 1020. | 1018. | 1020. |
| Reference | Figuérédo, Cabassu, et al., 2005 | Jelén, Krawczyk, et al., 2005 | Jirovetz, Buchbauer, et al., 2005 | Khayyat and Karimi, 2005 | Khayyat and Karimi, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5MS | HP-5MS | HP-5MS | SPB-5 | Methyl Silicone |
| Column length (m) | 30. | 30. | 30. | 60. | 60. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.32 | 0.25 | 1. | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 280. | 250. | 280. | 200. | 200. |
| Heat rate (K/min) | 3. | 5. | 3. | 4. | 4. |
| Initial hold (min) | 30. | 3. | 1. | ||
| Final hold (min) | 30. | 20. | |||
| I | 1001. | 1027. | 1020. | 1024. | 1024. |
| Reference | Marongiu, Piras, et al., 2005 | Pourmortazavi, Ghadiri, et al., 2005 | Slavkovska, Couladis, et al., 2005 | Gauvin, Ravaomanarivo, et al., 2004 | Rojas, Usubillaga, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | HP-5MS | HP-5 | HP-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 25. |
| Carrier gas | Helium | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 50. |
| Tend (C) | 200. | 280. | 280. | 250. | 250. |
| Heat rate (K/min) | 4. | 4. | 3. | 5. | 4. |
| Initial hold (min) | 1. | 30. | |||
| Final hold (min) | 20. | 10. | |||
| I | 1024. | 1022. | 1006. | 1036. | 1023. |
| Reference | Royas, Usubillaga, et al., 2004 | Sadeghpour, Asghari, et al., 2004 | Pitarokili, Tzakou, et al., 2003 | Yassa, Akhani, et al., 2003 | Zrira, Elamrani, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5 | SPB-5 | DB-5MS | DB-5 |
| Column length (m) | 30. | 30. | 60. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 60. | 60. |
| Tend (C) | 280. | 275. | 240. | 240. | 240. |
| Heat rate (K/min) | 3. | 4. | 5. | 3. | 3. |
| Initial hold (min) | 3. | ||||
| Final hold (min) | 30. | 10. | |||
| I | 1011. | 1021. | 1029. | 1018. | 1023. |
| Reference | Caredda, Marongiu, et al., 2002 | Ghannadi, Sajjadi, et al., 2002 | Kim and Lee, 2002 | Cherchi, Deidda, et al., 2001 | Tellez M., Estell R., et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-5 | BP-1 | DB-1 | DB-5 |
| Column length (m) | 60. | 30. | 50. | 60. | 30. |
| Carrier gas | N2 | H2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.75 | 0.25 | 1. |
| Tstart (C) | 60. | 40. | 50. | 50. | 40. |
| Tend (C) | 220. | 280. | 200. | 230. | 200. |
| Heat rate (K/min) | 3. | 3. | 5. | 4. | 3. |
| Initial hold (min) | 5. | 10. | 5. | ||
| Final hold (min) | 22. | 10. | |||
| I | 1016. | 1022. | 1034. | 1017. | 1041. |
| Reference | Bailac, Dellacasa, et al., 2000 | Bicalho, Pereira, et al., 2000 | Health Safety Executive, 2000 | Eikani, Goodarznia, et al., 1999 | Meynier, Novelli, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | OV-1 | OV-101 | DB-5 | DB-5 | DB-5 |
| Column length (m) | 50. | 30. | 30. | 30. | |
| Carrier gas | Helium | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.50 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 50. | 30. | 40. | 60. | 50. |
| Tend (C) | 160. | 100. | 220. | 240. | 250. |
| Heat rate (K/min) | 2. | 1. | 4. | 3. | 2. |
| Initial hold (min) | 6. | 5. | 5. | ||
| Final hold (min) | |||||
| I | 1029. | 1024. | 1020. | 1022. | 1019. |
| Reference | Orav, Kailas, et al., 1999 | Orav, Kailas, et al., 1999, 2 | Sefidkon and Khajavi, 1999 | El-Sakhawy, El-Tantawy, et al., 1998 | Reverchon, Porta, et al., 1997 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | CP Sil 5 CB | OV-101 |
| Column length (m) | 25. | 50. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.32 |
| Phase thickness (μm) | 0.45 | 0.5 |
| Tstart (C) | 0. | 50. |
| Tend (C) | 320. | 250. |
| Heat rate (K/min) | 3. | 4. |
| Initial hold (min) | 5. | |
| Final hold (min) | 10. | |
| I | 1021. | 1022. |
| Reference | Hartgers, Damste, et al., 1992 | Misharina, Golovnya, et al., 1991 |
| 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]
Sardashti, Valizadeh, et al., 2013
Sardashti, A.R.; Valizadeh, J.; Adhami, Y.,
Variations in the essential oil composition of Peroskia abrotonolides of different growth stage in Baluchestan,
Middle-East J. Sci. Res., 2013, 13, 6, 781-784. [all data]
Alizadeh and Shaabani, 2012
Alizadeh, A.; Shaabani, M.,
Essential oil composition, phenolic content, antioxidant and antimicrobial activity in Salvia officinalis L. cultivated in Iran,
Adv. Environ. Biol., 2012, 6, 1, 221-226. [all data]
Kotowska, Zalikowski, et al., 2012
Kotowska, U.; Zalikowski, M.; Isidorov, V.A.,
HS-SPME/GC-MS analysis of volatile and semi-volatile organic compounds emitted from municipal sewage sludge,
Environ. Monit. Asses., 2012, 184, 5, 2893-2907, https://doi.org/10.1007/s10661-011-2158-8
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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]
Karimi, Farmani, et al., 2011
Karimi, H.; Farmani, A.; Nourizadeh, H.,
A performance comparison of modern statistical technique for molecular descriptor selection and retention prediction of essential oil from leaves,
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Leffingwell and Alford, 2011
Leffingwell, J.; Alford, E.D.,
Volatile constituents of the giant pufball mushroom (Calvatia gigantea),
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Mirjalili, Salehi, et al., 2010
Mirjalili, M.H.; Salehi, P.; Sonboli, A.; HAdian, J.; Ebrahimi, S.N.; Yousefzadi, M.,
The composition and antibacterial activity of the essential oil of Levisticum officinale Koch flowers and fruits at different developmental stages,
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Pripdeevech, Chumpolsri, et al., 2010
Pripdeevech, P.; Chumpolsri, W.; Suttiarporn, P.; Wongpornchai, S.,
The chemical composition and antioxidant activities of Basil from Thailand using retention indices and comprehensive two-dimensional gas chromatography,
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Silva, Pott, et al., 2010
Silva, D.B.; Pott, A.; Oliveira, D.C.R.,
Analyses of the headspace volatile constituents of aerial parts (leaves and stems), flowers and fruits of Bidens gardneri Bak. and Bidens sulphurea (Cav.) Sch. Bip. using solid-phase microextraction,
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Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
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Kim and Chung, 2009
Kim, J.-S.; Chung, H.Y.,
GC-MS analysis of the volatile components in dried boxthorn (Lycium chimensis) Fruit,
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Marchesini, Prada, et al., 2009
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Porto, Decorti, et al., 2009
Porto, C.Da.; Decorti, D.; Kikic, I.,
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Awadi Ali, Wurster, et al., 2008
Awadi Ali, N.A.; Wurster, M.; Arnold, N.; Teicher, A.; Schmidt, J.; Lindequist, U.; Wessjohann, L.,
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Mosayebi, Amin, et al., 2008
Mosayebi, M.; Amin, G.; Arzani, H.; Azarnivand, H.; Maleki, M.; Shafaghat, A.,
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El-Ghorab A., El-Massry K.F., et al., 2007
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Ghasempour, Shirinpour, et al., 2007
Ghasempour, H.R.; Shirinpour, E.; Heidari, H.,
The constituents of essential oils of Ferulago angulata (Schlecht.) Boiss at two different habitats, Nevakoh and Shahoo, Agross mountain, Western Iran,
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Pala-Paul, Brophy, et al., 2007
Pala-Paul, J.; Brophy, J.J.; Perez-Alonso, M.J.; Usano, J.; Soria, S.C.,
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Tiwary, Nail, et al., 2007
Tiwary, M.; Nail, S.N.; Tewary, D.K.; Mittal, P.K.; Yadav, S.,
Chemical composition and larvicidal activities of the essential oil of Zanthoxylum armatum DC (Rutaceae) against three mosquito vectors,
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Notes
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