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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Van Den Dool and Kratz RI, 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 | HP-20M | DB-Wax | FFAP | PEG | DB-Wax |
| Column length (m) | 50. | 30. | 20. | 30. | 30. |
| Carrier gas | He | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.5 |
| Tstart (C) | 70. | 50. | 90. | 50. | 40. |
| Tend (C) | 180. | 220. | 220. | 220. | 240. |
| Heat rate (K/min) | 4. | 4. | 4. | 2. | 5. |
| Initial hold (min) | 4. | 4. | 2. | 3. | 5. |
| Final hold (min) | 15. | 20. | 15. | ||
| I | 1235. | 1233. | 1276. | 1247. | 1251. |
| Reference | Maric, Jukic, et al., 2007 | Osorio, Alarcon, et al., 2006 | Agnihotri, Agarwal, et al., 2005 | Dob, Berramdane, et al., 2005 | Rega, Fournier, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | DB-Wax | CP-Wax 52CB |
| Column length (m) | 30. | 50. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | |
| Tstart (C) | 40. | 60. |
| Tend (C) | 250. | 220. |
| Heat rate (K/min) | 3. | 4. |
| Initial hold (min) | 5. | |
| Final hold (min) | 20. | 30. |
| I | 1230. | 1239. |
| Reference | Brat, Rega, et al., 2003 | Chevance and Farmer, 1999 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Maric, Jukic, et al., 2007
Maric, S.; Jukic, M.; Katalinic, V.; Milos, M.,
Comparison of chemical composition and free radical scavenging ability of glycosidically bound and free volatiles from Bosnian pine (Pinus heldreichii Christ. var. leucodermis),
Molecules, 2007, 12, 3, 283-289, https://doi.org/10.3390/12030283
. [all data]
Osorio, Alarcon, et al., 2006
Osorio, C.; Alarcon, M.; Moreno, C.; Bonilla, A.; Barrios, J.; Garzon, C.; Duque, C.,
Characterization of Odor-Active Volatiles in Champa ( Campomanesia lineatifolia R. P.),
J. Agric. Food Chem., 2006, 54, 2, 509-516, https://doi.org/10.1021/jf052098c
. [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]
Rega, Fournier, et al., 2004
Rega, B.; Fournier, N.; Nicklaus, S.; Guichard, E.,
Role of pulp in flavor release and sensory perception in orange juice,
J. Agric. Food Chem., 2004, 52, 13, 4204-4212, https://doi.org/10.1021/jf035361n
. [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]
Chevance and Farmer, 1999
Chevance, F.F.V.; Farmer, L.J.,
Release of volatile odor compounds from full-fat and reduced-fat frankfurters,
J. Agric. Food Chem., 1999, 47, 12, 5161-5168, https://doi.org/10.1021/jf9905166
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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