β-Ocimene
- Formula: C10H16
- Molecular weight: 136.2340
- 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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Van Den Dool and Kratz 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 | Equity-5 | HP-5MS | DB-5 | DB-1 | DB-1 |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | He | He | He | N2 | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 40. | 80. | 90. | 50. | 40. |
Tend (C) | 260. | 300. | 220. | 260. | 250. |
Heat rate (K/min) | 5. | 4. | 4. | 2. | 3. |
Initial hold (min) | 1. | 2. | 3. | ||
Final hold (min) | 15. | 5. | 20. | ||
I | 1058. | 1027.6 | 1050. | 1041. | 1032. |
Reference | Rocha, Coelho, et al., 2007 | Zhao C.X., Li, et al., 2006 | Agnihotri, Agarwal, et al., 2005 | Dob, Berramdane, et al., 2005 | Brat, Rega, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|
Active phase | HP-1 | HP-1 | HP-1 | HP-5 |
Column length (m) | 50. | 50. | 50. | 30. |
Carrier gas | He | He | He | He |
Substrate | ||||
Column diameter (mm) | 0.2 | 0.2 | 0.2 | 0.25 |
Phase thickness (μm) | 0.33 | 0.33 | 0.33 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 60. |
Tend (C) | 250. | 250. | 250. | 280. |
Heat rate (K/min) | 2. | 2. | 2. | 4. |
Initial hold (min) | 5. | 5. | 5. | 5. |
Final hold (min) | 20. | 20. | 20. | |
I | 1029. | 1024. | 1031. | 1044. |
Reference | Cavalli, Fernandez, et al., 2003 | Cavalli, Fernandez, et al., 2003 | Cavalli, Fernandez, et al., 2003 | Karioti, Skaltsa, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Rocha, Coelho, et al., 2007
Rocha, S.M.; Coelho, E.; Zrostlikova, J.; Delgadillo, I.; Coimbra b, M.A.,
Comprehensive two-dimensional gas chromatography with time-of-flight mass spectrometry of monoterpenoids as a powerful tool for grape origin traceability,
J. Chromatogr. A, 2007, 1161, 1-2, 292-299, https://doi.org/10.1016/j.chroma.2007.05.093
. [all data]
Zhao C.X., Li, et al., 2006
Zhao C.X.; Li, X.N.; Liang Y.Z.; Fang H.Z.; Huang L.F.; Guo F.Q.,
Comparative analysis of chemical components of essential oils from different samples of Rhododendron with the help of chemometrics methods,
Chemom. Intell. Lab. Syst., 2006, 82, 1-2, 218-228, https://doi.org/10.1016/j.chemolab.2005.08.008
. [all data]
Agnihotri, Agarwal, et al., 2005
Agnihotri, V.K.; Agarwal, S.G.; Dhar, P.L.; Thappa, R.K.; Baleshwar; Kapahi, B.K.; Saxena, R.K.; Qazi, G.N.,
Essential oil composition of Mentha pulegium L. growing wild in the north-western Himalayas India,
Flavour Fragr. J., 2005, 20, 6, 607-610, https://doi.org/10.1002/ffj.1497
. [all data]
Dob, Berramdane, et al., 2005
Dob, T.; Berramdane, T.; Chelgoum, C.,
Chemical composition of essential oil of Pinus halepensis Miller growing in Algeria,
C.R. Chim., 2005, 8, 11-12, 1939-1945, https://doi.org/10.1016/j.crci.2005.05.007
. [all data]
Brat, Rega, et al., 2003
Brat, P.; Rega, B.; Alter, P.; Reynes, M.; Brillouet, J.-M.,
Distribution of volatile compounds in the pulp, cloud, and serum of freshly squeezed orange juice,
J. Agric. Food Chem., 2003, 51, 11, 3442-3447, https://doi.org/10.1021/jf026226y
. [all data]
Cavalli, Fernandez, et al., 2003
Cavalli, J.-F.; Fernandez, X.; Lizzani-Cuvelier, L.; Loiseau, A.-M.,
Comparison of static headspace, headspace solid phase microextraction, headspace sorptive extraction, and direct thermal desorption techniques on chemical composition of French olive oils,
J. Agric. Food Chem., 2003, 51, 26, 7709-7716, https://doi.org/10.1021/jf034834n
. [all data]
Karioti, Skaltsa, et al., 2003
Karioti, A.; Skaltsa, H.; Demetzos, C.; Perdetzoglou, D.; Economakis, C.D.; Salem, A.B.,
Effect of nitrogen concentration of the nutrient solution on the volatile constituents of leaves of Salvia fruticosa Mill. in solution culture,
J. Agric. Food Chem., 2003, 51, 22, 6505-6508, https://doi.org/10.1021/jf030308k
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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