β-Ocimene
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChI: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3
- IUPAC Standard InChIKey: IHPKGUQCSIINRJ-UHFFFAOYSA-N
- CAS Registry Number: 13877-91-3
- 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. - Stereoisomers:
- Other names: 1,3,6-Octatriene, 3,7-dimethyl-; Ocimene; 3,7-Dimethyl-1,3,6-octatriene; beta-Ocimene; 3,7-dimethylocta-1,3,6-triene
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Normal alkane 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 | HP-5MS | DB-5 | HP-5 | HP-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | 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 | 0.25 | 1. |
| Program | 40C(3min) => 6C/min => 160C => 10C/min => 300C (10min) | 35C => 4C/min => 180C => 10C/min => 250C | >2.5C/min => 180C => 100C/min => 250C (7.3min) | 50C(3min) => 3C/min => 150C(10min) => 10 C/min => 250C | 0C(5min) => 60C/min => 60C (5min) => 4C/min => 250C (5min) |
| I | 1040. | 1031. | 1048. | 1037. | 1027. |
| Reference | Yu, Huang, et al., 2007 | Albuquerque, Canuto, et al., 2006 | Goodner, Mahattanatawee, et al., 2006 | Güllüce, Sökmen, et al., 2003 | Storer, Elmore, et al., 1993 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Yu, Huang, et al., 2007
Yu, Y.; Huang, T.; Yang, B.; Liu, X.; Duan, G.,
Development of gas chromatography-mass spectrometry with microwave distillation and simultaneous solid-phase microextraction for rapid determination of volatile constituents in ginger,
J. Pharm. Biomed. Anal., 2007, 43, 1, 24-31, https://doi.org/10.1016/j.jpba.2006.06.037
. [all data]
Albuquerque, Canuto, et al., 2006
Albuquerque, M.R.J.R.; Canuto, K.M.; Pessoa, O.D.L.; Nunes, E.P.; Nascimento, R.F.; Silveira, E.R.,
Essential oil composition of Verbesina diversifolia DC,
Flavour Fragr. J., 2006, 21, 4, 634-636, https://doi.org/10.1002/ffj.1632
. [all data]
Goodner, Mahattanatawee, et al., 2006
Goodner, K.L.; Mahattanatawee, K.; Plotto, A.; Sotomayor, J.A.; Jordan, M.J.,
Aromatic profiles of Thymus hyemalis and Spanish T. vulgaris essential oils by GC-MS/GC-O,
Ind. Crops Prod., 2006, 24, 3, 264-268, https://doi.org/10.1016/j.indcrop.2006.06.006
. [all data]
Güllüce, Sökmen, et al., 2003
Güllüce, M.; Sökmen, M.; Daferera, D.; Agar, G.; Özkan, H.; Kartal, N.; Polissiou, M.; Sökmen, A.; Sahín, F.,
In vitro antibacterial, antifungal, and antioxidant activities of the essential oil and methanol extracts of herbal parts and callus cultures of Satureja hortensis L.,
J. Agric. Food Chem., 2003, 51, 14, 3958-3965, https://doi.org/10.1021/jf0340308
. [all data]
Storer, Elmore, et al., 1993
Storer, J.R.; Elmore, J.S.; van Emden, H.F.,
Airborne volatiles from the foliage of three cultivars of autumn flowering chrysanthemums,
Phytochemistry, 1993, 34, 6, 1489-1492, https://doi.org/10.1016/S0031-9422(00)90833-1
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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