trans-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/b10-8+
- IUPAC Standard InChIKey: IHPKGUQCSIINRJ-CSKARUKUSA-N
- CAS Registry Number: 3779-61-1
- 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-, (E)-; β-trans-Ocimene; trans-3,7-Dimethyl-1,3,6-Octatriene; Ocimene, trans-β-; (E)-Ocimene; trans-Ocimene; (3E)-3,7-Dimethyl-1,3,6-octatriene; β-(E)-Ocimene; β-Ocimene, (E)-; (E)- β-Ocimene; (E)-3,7-Dimethyl-1,3,6-octatriene; Ocimene, trans; t-β-Ocimene; Ocimene trans-beta-form; (E)-3,7-Dimethylocta-1,3,6-triene; t-Ocimene; β-Ocymene, (E)-; ocimene-x; (E)- β-Ocimene (trans-ocimene); (E)-β-3,7-dimethyl-1,3,6-octatriene ((E)-β-ocimene); (E)- β-Ocymene
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Kovats' RI, polar column, isothermal
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 | Packed |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 4000 |
| Column length (m) | 150. | 6.1 | |||
| Carrier gas | N2 | ||||
| Substrate | Gas Chrom P (60-80 mesh) | ||||
| Column diameter (mm) | 0.75 | ||||
| Phase thickness (μm) | 0.5 | 0.5 | 0.5 | ||
| Temperature (C) | 100. | 70. | 90. | 70. | 130. |
| I | 1244. | 1241.7 | 1240.1 | 1257. | 1273. |
| Reference | Saeed, Redant, et al., 1979 | Saeed, Redant, et al., 1979 | Saeed, Redant, et al., 1979 | Malingré and Maarse, 1974 | Minyard, Tumlinson, et al., 1965 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, polar column, isothermal, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Saeed, Redant, et al., 1979
Saeed, T.; Redant, G.; Sandra, P.,
Kovats Indices of Monoterpene Hydrocarbons on Glass Capillary Columns,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1979, 2, 2, 75-76, https://doi.org/10.1002/jhrc.1240020208
. [all data]
Malingré and Maarse, 1974
Malingré, T.M.; Maarse, H.,
Composition of the essential oil of Mentha aquatica,
Phytochemistry, 1974, 13, 8, 1531-1535, https://doi.org/10.1016/0031-9422(74)80322-5
. [all data]
Minyard, Tumlinson, et al., 1965
Minyard, J.P.; Tumlinson, J.H.; Hedin, P.A.; Thompson, A.C.,
Constituents of the cotton bud. Terpene hydrocarbons,
J. Agric. Food Chem., 1965, 13, 6, 599-602, https://doi.org/10.1021/jf60142a034
. [all data]
Notes
Go To: Top, Kovats' RI, polar column, isothermal, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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