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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Kovats' RI, non-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-5 | DB-5 | AT-5 | Petrocol DH-100 | Squalane |
| Column length (m) | 30. | 30. | 60. | 100. | 100. |
| Carrier gas | He | H2 | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.20 | 0.25 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Program | 35C => 4C/min => 180C => 20C/min => 280C | not specified | 60 C 4K/min -> 200 C 10 K/min -> 280 C | 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) | not specified |
| I | 1020. | 1022. | 1018. | 1009.85 | 1023. |
| Reference | Araújo, Silveira, et al., 2003 | Moreira, Sousa, et al., 2001 | Khouri, Usubillaga, et al., 2000 | Haagen-Smit Laboratory, 1997 | Papazova and Pankova, 1975 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Squalane |
| Column length (m) | 100. |
| Carrier gas | N2 |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | |
| Program | not specified |
| I | 1031. |
| Reference | Papazova and Pankova, 1975 |
| Comment | MSDC-RI |
References
Go To: Top, Kovats' RI, non-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.
Araújo, Silveira, et al., 2003
Araújo, E.C.C.; Silveira, E.R.; Lima, M.A.S.; Neto, M.A.; de Andrade, I.L.; Lima, M.A.A.; Santiago, G.M.P.; Mesquita, A.L.M.,
Insecticidal activity and chemical composition of volatile oils from Hyptis martiusii Benth,
J. Agric. Food Chem., 2003, 51, 13, 3760-3762, https://doi.org/10.1021/jf021074s
. [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]
Khouri, Usubillaga, et al., 2000
Khouri, N.; Usubillaga, A.; Rojas, L.B.; Galarraga, F.,
The essential oil of Espeletia weddellii Sch. Bip. ex Wedd.,
Flavour Fragr. J., 2000, 15, 4, 263-265, https://doi.org/10.1002/1099-1026(200007/08)15:4<263::AID-FFJ907>3.0.CO;2-Q
. [all data]
Haagen-Smit Laboratory, 1997
Haagen-Smit Laboratory,
Procedure for the detailed hydrocarbon analysis of gasolines by single column high efficiency (capillary) column gas chromatography, SOP NO. MLD 118, Revision No. 1.1, California Environmental Protection Agency, Air Resources Board, El Monte, California, 1997, 22. [all data]
Papazova and Pankova, 1975
Papazova, D.I.; Pankova, M.C.,
Identification of individual aromatic hydrocarbons in kerosene fraction (b.p. 150-250 °),
J. Chromatogr., 1975, 105, 2, 411-414, https://doi.org/10.1016/S0021-9673(01)82276-7
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, custom temperature program, References
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