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, polar column, temperature ramp
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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 |
|---|---|---|---|---|
| Active phase | DB-Wax | Supelcowax-10 | Supelcowax-10 | DB-Wax |
| Column length (m) | 60. | 30. | 60. | 60. |
| Carrier gas | He | He | He | He |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.25 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.2 | 0.25 |
| Tstart (C) | 70. | 40. | 60. | 40. |
| Tend (C) | 220. | 250. | 200. | 200. |
| Heat rate (K/min) | 4. | 3. | 4. | 2. |
| Initial hold (min) | 5. | 2. | ||
| Final hold (min) | 10. | 40. | ||
| I | 1268. | 1291. | 1248. | 1298. |
| Reference | Pala-Paul, Brophy, et al., 2007 | Vichi, Riu-Aumatell, et al., 2007 | Gauvin, Ravaomanarivo, et al., 2004 | Umano, Hagi, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Pala-Paul, Brophy, et al., 2007
Pala-Paul, J.; Brophy, J.J.; Perez-Alonso, M.J.; Usano, J.; Soria, S.C.,
Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain,
J. Chromatogr. A, 2007, 1175, 2, 289-293, https://doi.org/10.1016/j.chroma.2007.10.061
. [all data]
Vichi, Riu-Aumatell, et al., 2007
Vichi, S.; Riu-Aumatell, M.; Mora-Pons, M.; Guadayol, J.M.; Buxaderas, S.; López-Tamames, E.,
Analytical, Nutritional and Clinical Methods. HS-SPME coupled to GC/MS for quality control of Juniperus communis L. berries used for gin aromatization,
Food Chem., 2007, 105, 4, 1748-1754, https://doi.org/10.1016/j.foodchem.2007.03.026
. [all data]
Gauvin, Ravaomanarivo, et al., 2004
Gauvin, A.; Ravaomanarivo, H.; Smadja, J.,
Comparative analysis by gas chromatography?mass spectrometry of the essential oils from bark and leaves of Cedrelopsis grevei Baill, an aromatic and medicinal plant from Madagascar,
J. Chromatogr. A, 2004, 1029, 1-2, 279-282, https://doi.org/10.1016/j.chroma.2003.12.012
. [all data]
Umano, Hagi, et al., 2000
Umano, K.; Hagi, Y.; Nakahara, K.; Shoji, A.; Shibamoto, T.,
Volatile chemicals identified in extracts from leaves of Japanese mugwort (Artemisia princeps Pamp.),
J. Agric. Food Chem., 2000, 48, 8, 3463-3469, https://doi.org/10.1021/jf0001738
. [all data]
Notes
Go To: Top, Normal alkane RI, 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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