o-Cymene
- Formula: C10H14
- Molecular weight: 134.2182
- 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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Kovats' 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 | DB-5MS | DB-5 | DB-5MS | BPX-5 | DB-5 |
Column length (m) | 30. | 30. | 30. | 25. | 30. |
Carrier gas | He | He | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.22 | 0.20 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 60. | 60. | 60. |
Tend (C) | 180. | 280. | 240. | 240. | |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
Initial hold (min) | |||||
Final hold (min) | 15. | 30. | |||
I | 1018. | 1027. | 1002. | 1019. | 1020. |
Reference | Angioni, Barra, et al., 2006 | Lucero, Fredrickson, et al., 2006 | Marongiu, Porcedda, et al., 2006 | El-Ghorab, Mansour, et al., 2004 | Moreira, Sousa, et al., 2001 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5 | SE-54 | HP-5 | DB-5 | Apiezon L |
Column length (m) | 30. | 30. | 30. | 30. | 50. |
Carrier gas | He | He | He | N2 | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.26 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Tstart (C) | 60. | 60. | 70. | 60. | 60. |
Tend (C) | 280. | 246. | 250. | 240. | |
Heat rate (K/min) | 3. | 3. | 3. | 4. | 1. |
Initial hold (min) | |||||
Final hold (min) | |||||
I | 1020. | 1022. | 1014. | 1021. | 1043. |
Reference | Tzakou and Couladis, 2001 | Adams, 2000 | Ramos, Siani, et al., 2000 | Zoghbi, Andrade, et al., 1998 | Louis, 1971 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Angioni, Barra, et al., 2006
Angioni, A.; Barra, A.; Coroneo, V.; Dessi, S.; Cabras, P.,
Chemical composition, seasonal variability, and antifungal activity of Lavandula stoechas L. ssp. stoechas essential oils from stem/leaves and flowers,
J. Agric. Food Chem., 2006, 54, 12, 4364-4370, https://doi.org/10.1021/jf0603329
. [all data]
Lucero, Fredrickson, et al., 2006
Lucero, M.E.; Fredrickson, E.L.; Estell, R.E.; Morrison, A.A.; Richman, D.B.,
Volatile Composition of Gutierrezia sarothrae (Broom Snakeweed) as Determined by Steam Distillation and Solid Phase Microextraction,
J. Essent. Oil Res., 2006, 18, 2, 121-125, https://doi.org/10.1080/10412905.2006.9699039
. [all data]
Marongiu, Porcedda, et al., 2006
Marongiu, B.; Porcedda, S.; Piras, A.; Sanna, G.; Murreddu, M.; Loddo, R.,
Extraction of Juniperus communis L. ssp. nana Willd. essential oil by supercritical carbon dioxide,
Flavour Fragr. J., 2006, 21, 1, 148-154, https://doi.org/10.1002/ffj.1549
. [all data]
El-Ghorab, Mansour, et al., 2004
El-Ghorab, A.H.; Mansour, A.F.; El-massry, K.F.,
Effect of extraction methods on the chemical composition and antioxidant activity of Egyptian marjoram (Majorana hortensis Moench),
Flavour Fragr. J., 2004, 19, 1, 54-61, https://doi.org/10.1002/ffj.1276
. [all data]
Moreira, Sousa, et al., 2001
Moreira, D.L.; Sousa, P.O.; Pereira, N.A.; Cardoso, G.L.,
Effect of leaf essential oil from Piper solmsianum C.DC. in mice behaviour,
An. Acad. Bras. Cienc., 2001, 73, 1, 1-7, https://doi.org/10.1590/S0001-37652001000100004
. [all data]
Tzakou and Couladis, 2001
Tzakou, O.; Couladis, M.,
The essential oil of Micromeria graeca (L.) Bentham et Reichenb. growing in Greece,
Flavour Fragr. J., 2001, 16, 2, 107-109, https://doi.org/10.1002/ffj.955
. [all data]
Adams, 2000
Adams, R.P.,
Systematics of the one seeded Juniperus of the eastern hemisphere based on leaf essential oils and random amplified polymorphic DNAs (RAPDs),
Biochem. Syst. Ecol., 2000, 28, 6, 529-543, https://doi.org/10.1016/S0305-1978(99)00096-4
. [all data]
Ramos, Siani, et al., 2000
Ramos, M.F.S.; Siani, A.C.; Tappin, M.R.R.; Guimaraes, A.C.; Lahoz, J.E.; Ribeiro, J.E.L.S.,
Essential oils from oleoresins of Protium spp. of the Amazon region,
Flavour Fragr. J., 2000, 15, 6, 383-387, https://doi.org/10.1002/1099-1026(200011/12)15:6<383::AID-FFJ927>3.0.CO;2-X
. [all data]
Zoghbi, Andrade, et al., 1998
Zoghbi, M.G.B.; Andrade, E.H.A.; Santos, A.S.; Silva, M.H.L.; Maia, J.G.S.,
Essential oils of Lippia alba (Mill.) N. E. Br growing wild in the Brazilian Amazon,
Flavour Fragr. J., 1998, 13, 1, 47-48, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<47::AID-FFJ690>3.0.CO;2-0
. [all data]
Louis, 1971
Louis, R.,
Kovats-index-tafeln zur gaschromatographischen analyse von kohlenwasserstoffgemischen,
Erdoel Kohle Erdgas Petrochem., 1971, 24, 2, 88-94. [all data]
Notes
Go To: Top, Kovats' 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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