1,3,6-Octatriene, 3,7-dimethyl-, (Z)-
- 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-NTMALXAHSA-N
- CAS Registry Number: 3338-55-4
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: β-cis-Ocimene; cis-β-Ocimene; cis-3,7-Dimethyl-1,3,6-octatriene; Ocimene, cis-β-; (Z)-Ocimene; cis-Ocimene; (3Z)-3,7-Dimethyl-1,3,6-octatriene; β-Ocimene, (Z)-; β-(Z)-Ocimene; (Z)-β-Ocimene; (Z)-3,7-Dimethyl-1,3,6-octatriene; 1,3,6-Octatriene, 3,7-dimethyl-, (3Z)-; (Z)-3,7-Dimethylocta-1,3,6-triene; ocimene-y; β-Ocymene, (Z)-; (Z)- β-Ocimene (cis-ocimene); p-cis-Ocimene
- Information on this page:
- Other data available:
- Options:
Kovats' 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 | BP-1 | BP-1 | BP-1 | BP-1 | BP-1 |
| Column length (m) | 30. | 25. | 25. | 25. | 30. |
| Carrier gas | N2 | N2 | N2 | N2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 60C => 5C/min => 220C (5min) => 3C/min => 245C(5min) | 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min) | 60C => 5C/min => 220C (5min) => 3C/min => 245 C (5min) | 60C => 5C/min => 220C(5min) => 3C/min => 245C(5min) | 60C => 5.5C/min => 220C => 3.5C/min => 245C |
| I | 1029. | 1028. | 1028. | 1031. | 1034. |
| Reference | Khan, Verma, et al., 2006 | Dwivedi, Khan, et al., 2004 | Khan, Srivastava, et al., 2003 | Raina, Srivastava, et al., 2003 | Rao, Kaul, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-1 | OV-1 | BP-1 | HP-5 |
| Column length (m) | 30. | 30. | 15. | 30. | 30. |
| Carrier gas | He | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.317 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | not specified | 35C => 2C/min => 100C => 5C/min => 230C(2min) | 50C(4min) => (4C/min) => 90C => (10C/min)=300C(10min) | 60 C 5 C/min -> 220 C (5 min) 3 C/min -> 245 C (5 min) | 50 0C 5 K/min -> 140 0C 2 K/min -> 170 0C |
| I | 1040. | 1022. | 1029. | 1028. | 1041. |
| Reference | Shellie and Marriott, 2003 | Wongpornchai, Sriseadka, et al., 2003 | El-Shazly, Dorai, et al., 2002 | Khan, Srivastava, et al., 2002 | Novak, Zitterl-Eglseer, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | AT-5 | DB-5 | DB-5 | BP-1 | SF-96 |
| Column length (m) | 60. | 30. | 30. | 25. | 127. |
| Carrier gas | He | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.26 | 0.25 | 0.2 | 0.75 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Program | 60 C 4K/min -> 200 C 10 K/min -> 280 C | not specified | 40C => 2C/min => 60C => 4C/min => 240C | not specified | not specified |
| I | 1041. | 1040. | 1040. | 1025. | 1024. |
| Reference | Khouri, Usubillaga, et al., 2000 | Adams, 1998 | Santos, Andrade, et al., 1998 | MacLeod, MacLeod, et al., 1988 | Okamoto, Ellison, et al., 1981 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | SF-96 |
| Column length (m) | 150. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.75 |
| Phase thickness (μm) | |
| Program | not specified |
| I | 1027. |
| Reference | Malingré and Maarse, 1974 |
| Comment | MSDC-RI |
References
Go To: Top, Kovats' 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.
Khan, Verma, et al., 2006
Khan, M.; Verma, S.C.; Srivastava, S.K.; Shawl, A.S.; Syamsundar, K.V.; Khanuja, S.P.S.; Kumar, T.,
Essential oil composition of Taxus wallichiana Zucc. from the Northern Himalayan region of India,
Flavour Fragr. J., 2006, 21, 5, 772-775, https://doi.org/10.1002/ffj.1682
. [all data]
Dwivedi, Khan, et al., 2004
Dwivedi, S.; Khan, M.; Srivastava, S.K.; Syamasunnder, K.V.; Srivastava, A.,
Essential oil composition of different accessions of Mentha × piperita L. grown on the northern plains of India,
Flavour Fragr. J., 2004, 19, 5, 437-440, https://doi.org/10.1002/ffj.1333
. [all data]
Khan, Srivastava, et al., 2003
Khan, M.; Srivastava, S.K.; Jain, N.; Syamasundar, K.V.; Yadav, A.K.,
Chemical composition of fruit and stem essential oils of Lantana camara from northern India,
Flavour Fragr. J., 2003, 18, 5, 376-379, https://doi.org/10.1002/ffj.1197
. [all data]
Raina, Srivastava, et al., 2003
Raina, V.K.; Srivastava, S.K.; Aggarwal, K.K.; Syamasunder, K.V.; Khanuja, S.P.S.,
Essential oil composition of Cymbopogon martinii from different places in India,
Flavour Fragr. J., 2003, 18, 4, 312-315, https://doi.org/10.1002/ffj.1222
. [all data]
Rao, Kaul, et al., 2003
Rao, B.R.R.; Kaul, P.N.; Syamasundar, K.V.; Ramesh, S.,
Comparative composition of decanted and recovered essential oils of Eucalyptus citriodora Hook,
Flavour Fragr. J., 2003, 18, 2, 133-135, https://doi.org/10.1002/ffj.1157
. [all data]
Shellie and Marriott, 2003
Shellie, R.A.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography-mass spectrometry analysis of Pelargonium graveolens essential oil using rapid scanning quadrupole mass spectrometry,
Analyst, 2003, 128, 7, 879-883, https://doi.org/10.1039/b304371a
. [all data]
Wongpornchai, Sriseadka, et al., 2003
Wongpornchai, S.; Sriseadka, T.; Choonvisase, S.,
Identification and quantitation of the rice aroma compound, 2-acetyl-1-pyrroline, in bread flowers (Vallaris glabra Ktze),
J. Agric. Food Chem., 2003, 51, 2, 457-462, https://doi.org/10.1021/jf025856x
. [all data]
El-Shazly, Dorai, et al., 2002
El-Shazly, A.; Dorai, G.; Wink, M.,
Chemical composition and biological activity of the essential oils of Senecio aegyptus var. discoideus Boiss.,
Z. Naturforsch., 2002, 57c, 434-439. [all data]
Khan, Srivastava, et al., 2002
Khan, M.; Srivastava, S.K.; Syamasundar, K.V.; Singh, M.; Naqvi, A.A.,
Chemical composition of leaf and flower essential oil of Lantana camara from India,
Flavour Fragr. J., 2002, 17, 1, 75-77, https://doi.org/10.1002/ffj.1047
. [all data]
Novak, Zitterl-Eglseer, et al., 2001
Novak, J.; Zitterl-Eglseer, K.; Deans, S.G.; Franz, C.M.,
Essential oils of different cultivars of Cannabis sativa L. and their antimicrobial activity,
Flavour Fragr. J., 2001, 16, 4, 259-262, https://doi.org/10.1002/ffj.993
. [all data]
Khouri, Usubillaga, et al., 2000
Khouri, N.; Usubillaga, A.; Rojas, L.B.; Galarraga, F.,
The essential oil of Espeletia weddellii Sch. Bip. ex Wedd.,
Flavour Fragr. J., 2000, 15, 4, 263-265, https://doi.org/10.1002/1099-1026(200007/08)15:4<263::AID-FFJ907>3.0.CO;2-Q
. [all data]
Adams, 1998
Adams, R.P.,
The essential oils and chemotaxonomy of Juniperus sect. Juniperus,
Biochem. Syst. Ecol., 1998, 26, 6, 637-645, https://doi.org/10.1016/S0305-1978(98)00020-9
. [all data]
Santos, Andrade, et al., 1998
Santos, A.S.; Andrade, E.H.A.; Zoghbi, M.G.B.; Maia, J.G.S.,
Volatile constituents of fruits of Annona glabra L. from Brazil,
Flavour Fragr. J., 1998, 13, 3, 148-150, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<148::AID-FFJ711>3.0.CO;2-Y
. [all data]
MacLeod, MacLeod, et al., 1988
MacLeod, A.J.; MacLeod, G.; Subramanian, G.,
Volatile aroma constituents of orange,
Phytochemistry, 1988, 27, 7, 2185-2188, https://doi.org/10.1016/0031-9422(88)80123-7
. [all data]
Okamoto, Ellison, et al., 1981
Okamoto, R.A.; Ellison, B.O.; Kepner, R.E.,
Volatile terpenes in Sequoia sempervirens foliage. Changes in composition during maturation,
J. Agric. Food Chem., 1981, 29, 2, 324-326, https://doi.org/10.1021/jf00104a026
. [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]
Notes
Go To: Top, Kovats' RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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