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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Data at NIST subscription sites:
NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.
Normal alkane RI, 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 | PEG-20M Innowax | BP-20 | Supelcowax-10 | Carbowax 20M | Carbowax 20M |
| Column length (m) | 30. | 30. | 60. | ||
| Carrier gas | Nitrogen | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | ||
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Program | 50 0C (7 min) 20 0C/min -> 130 0C (1 min) 1 0C/min -> 150 0C 8 0C/min -> 190 0C (5 min) | 50C(1min) => 2.5C/min => 100C => 2C/min => 180C => 15C/min => 220C | 40C (7min) => 4C/min => 150C => 8C/min => 240C (10min) | not specified | not specified |
| I | 1272. | 1261. | 1275. | 1275. | 1280. |
| Reference | Wang, Tian, et al., 2013 | Pontes, Marques, et al., 2007 | Kim and Lee, 2002 | Ivanciuc, Ivanciuc, et al., 2001 | Dimov and Mekenyan, 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Wang, Tian, et al., 2013
Wang, G.-J.; Tian, L.; Fan, Y.-M.; Qi, M.-L.,
Headspace single drop microextraction gas chromatography mass spectrometry for the analysis of volatile compounds from herba Asari,
J. Anal. Methods in Chemistry, 2013, 1-6. [all data]
Pontes, Marques, et al., 2007
Pontes, M.; Marques, J.C.; Camara, J.S.,
Screening of volatile composition from Portuguese multifloral honeys using headspace solid-phase microextraction-gas chromatography-quadrupole mass spectrometry,
Talanta, 2007, 74, 1, 91-103, https://doi.org/10.1016/j.talanta.2007.05.037
. [all data]
Kim and Lee, 2002
Kim, N.-S.; Lee, D.-S.,
Comparison of different extraction methods for the analysis of fragrances from Lavandula species by gas chromatography-mass spectrometry,
J. Chromatogr. A, 2002, 982, 1, 31-47, https://doi.org/10.1016/S0021-9673(02)01445-0
. [all data]
Ivanciuc, Ivanciuc, et al., 2001
Ivanciuc, O.; Ivanciuc, T.; Klein, D.J.; Seitz, W.A.; Balaban, A.T.,
Quantitative structure-retention relationships for gas chromatographic retention indices of alkylbenzenes with molecular graph descriptors,
SAR QSAR Environ. Res., 2001, 11, 5-6, 419-452, https://doi.org/10.1080/10629360108035362
. [all data]
Dimov and Mekenyan, 1989
Dimov, N.; Mekenyan, Ov.,
Quantitative Relationships Between the Structure of Alkylbenzenes and Their Gas Chromatographic Retention on Stationary Phasses with Different Polarity,
J. Chromatogr., 1989, 471, 227-236, https://doi.org/10.1016/S0021-9673(00)94170-0
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.