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, 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-Wax | DB-Wax | Innowax | Innowax | Carbowax 20M |
| Column length (m) | 50. | 30. | 30. | 50. | 50. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.32 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.4 | 0.25 | 0.25 | 0.25 | 0.2 |
| Tstart (C) | 60. | 40. | 50. | 50. | 60. |
| Tend (C) | 230. | 220. | 250. | 180. | 260. |
| Heat rate (K/min) | 4. | 3. | 0.5 | 2.5 | 2. |
| Initial hold (min) | 5. | 5. | 5. | ||
| Final hold (min) | 30. | 10. | |||
| I | 1257. | 1250. | 1242. | 1250. | 1244. |
| Reference | Gauvin, Lecomte, et al., 2004 | Lopes, Strobl, et al., 2004 | Viña and Murillo, 2003 | Yáñez, Pinzón, et al., 2002 | Vera and Chane-Ming, 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Supelcowax-10 | Supelcowax-10 |
| Column length (m) | 50. | 25. | 25. | 30. | 30. |
| Carrier gas | N2 | N2 | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.5 | ||
| Phase thickness (μm) | 0.2 | ||||
| Tstart (C) | 60. | 60. | 60. | 40. | 40. |
| Tend (C) | 260. | 200. | 200. | 210. | 210. |
| Heat rate (K/min) | 2. | 5. | 5. | 2. | 2. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 120. | 120. | |||
| I | 1250. | 1243. | 1253. | 1261. | 1252. |
| Reference | Vera and Chane-Ming, 1999 | Kulkarni, Mallavarapu, et al., 1998 | Mallavarapu, Rao, et al., 1998 | Loayza, Abujder, et al., 1995 | Loayza, Abujder, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Supelcowax-10 | DB-Wax | Supelcowax-10 | Supelcowax-10 | DB-Wax |
| Column length (m) | 30. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | ||||
| Tstart (C) | 40. | 40. | 35. | 35. | 40. |
| Tend (C) | 210. | 200. | 200. | 200. | 200. |
| Heat rate (K/min) | 2. | 2. | 3. | 3. | 3. |
| Initial hold (min) | 2. | 2. | 5. | 5. | 5. |
| Final hold (min) | 120. | 20. | 20. | ||
| I | 1254. | 1250. | 1246. | 1258. | 1255. |
| Reference | Loayza, Abujder, et al., 1995 | Umano, Hagi, et al., 1994 | Wong and Teng, 1994 | Wong and Tie, 1993 | Tatsuka, Suekane, et al., 1990 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-Wax | DB-Wax | DB-Wax | BP-20 | Carbowax 20M |
| Column length (m) | 60. | 60. | 60. | 25. | 150. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.332 | 0.64 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 40. | 40. | 40. | 70. | 50. |
| Tend (C) | 200. | 200. | 200. | 200. | 170. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. | 1. |
| Initial hold (min) | 5. | 5. | 5. | 2. | 30. |
| Final hold (min) | |||||
| I | 1255. | 1252. | 1255. | 1258. | 1250. |
| Reference | Tatsuka, Suekane, et al., 1990 | Tatsuka, Suekane, et al., 1990 | Tatsuka, Suekane, et al., 1990 | Wyllie, Cook, et al., 1987 | Buttery, Kamm, et al., 1982 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M |
| Column length (m) | 150. | 50. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.64 | 0.28 |
| Phase thickness (μm) | ||
| Tstart (C) | 50. | 70. |
| Tend (C) | 170. | 190. |
| Heat rate (K/min) | 1. | 2. |
| Initial hold (min) | 30. | |
| Final hold (min) | ||
| I | 1250. | 1251. |
| Reference | Buttery, Ling, et al., 1982 | Tressl, Friese, et al., 1978 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Gauvin, Lecomte, et al., 2004
Gauvin, A.; Lecomte, H.; Smadja, J.,
Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island,
Flavour Fragr. J., 2004, 19, 5, 455-460, https://doi.org/10.1002/ffj.1354
. [all data]
Lopes, Strobl, et al., 2004
Lopes, D.; Strobl, H.; Kolodziejczyk, P.,
14-Methylpentadecano-15-lactone (Muscolide): a new macrocyclic lactone from the oil of Angelica archangelica L.,
Chemistry and Biodiversity, 2004, 1, 12, 1880-1887, https://doi.org/10.1002/cbdv.200490144
. [all data]
Viña and Murillo, 2003
Viña, A.; Murillo, E.,
Essential oil composition from twelve varieties of basil (Ocimum spp) grown in Columbia,
J. Braz. Chem. Soc., 2003, 14, 5, 744-749, https://doi.org/10.1590/S0103-50532003000500008
. [all data]
Yáñez, Pinzón, et al., 2002
Yáñez, X.; Pinzón, M.L.; Solano, F.; Sánchez, L.R.,
Chemical composition of the essential oil of Psidium caudatum McVaugh,
Molecules, 2002, 7, 9, 712-716, https://doi.org/10.3390/70900712
. [all data]
Vera and Chane-Ming, 1999
Vera, R.R.; Chane-Ming, J.,
Chemical composition of the essential oil of marjoram (Origanum majorana L.) from Reunion Island,
Food Chem., 1999, 66, 2, 143-145, https://doi.org/10.1016/S0308-8146(98)00018-1
. [all data]
Kulkarni, Mallavarapu, et al., 1998
Kulkarni, R.N.; Mallavarapu, G.R.; Baskaran, K.; Ramesch, S.; Kumar, S.,
Composition of the essential oils of two isomenthone-rich variants of geranium (Pelargonium sp.),
Flavour Fragr. J., 1998, 13, 6, 389-392, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<389::AID-FFJ757>3.0.CO;2-2
. [all data]
Mallavarapu, Rao, et al., 1998
Mallavarapu, G.R.; Rao, B.R.R.; Kaul, P.N.; Ramesh, S.; Bhattacharya, A.K.,
Volatile constituents of the essential oils of the seeds and the herb of palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.),
Flavour Fragr. J., 1998, 13, 3, 167-169, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<167::AID-FFJ719>3.0.CO;2-B
. [all data]
Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I.,
Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia,
Phytochemistry, 1995, 38, 2, 381-389, https://doi.org/10.1016/0031-9422(94)00628-7
. [all data]
Umano, Hagi, et al., 1994
Umano, K.; Hagi, Y.; Tamura, T.; Shoji, A.; Shibamoto, T.,
Identification of volatile compounds isolated from round kumquat (Fortunella japonica Swingle),
J. Agric. Food Chem., 1994, 42, 9, 1888-1890, https://doi.org/10.1021/jf00045a011
. [all data]
Wong and Teng, 1994
Wong, K.C.; Teng, Y.E.,
Volatile Components of Mimusops elengi L. Flowers,
J. Essent. Oil Res., 1994, 6, 5, 453-458, https://doi.org/10.1080/10412905.1994.9698425
. [all data]
Wong and Tie, 1993
Wong, K.C.; Tie, D.Y.,
The Essential Oil of the Leaves of Murraya koenigii Spreng.,
J. Essent. Oil Res., 1993, 5, 4, 371-374, https://doi.org/10.1080/10412905.1993.9698245
. [all data]
Tatsuka, Suekane, et al., 1990
Tatsuka, K.; Suekane, S.; Sakai, Y.; Sumitani, H.,
Volatile constituents of kiwi fruit flowers: simultaneous distillation and extraction versus headspace sampling,
J. Agric. Food Chem., 1990, 38, 12, 2176-2180, https://doi.org/10.1021/jf00102a015
. [all data]
Wyllie, Cook, et al., 1987
Wyllie, S.G.; Cook, D.; Brophy, J.J.; Richter, K.M.,
Volatile flavor components of Annona atemoya (custard apple),
J. Agric. Food Chem., 1987, 35, 5, 768-770, https://doi.org/10.1021/jf00077a029
. [all data]
Buttery, Kamm, et al., 1982
Buttery, R.G.; Kamm, J.A.; Ling, L.C.,
Volatile components of alfalfa flowers and pods,
J. Agric. Food Chem., 1982, 30, 4, 739-742, https://doi.org/10.1021/jf00112a028
. [all data]
Buttery, Ling, et al., 1982
Buttery, R.G.; Ling, L.C.; Wellso, S.G.,
Oat leaf volatiles: possible insect attractants,
J. Agric. Food Chem., 1982, 30, 4, 791-792, https://doi.org/10.1021/jf00112a045
. [all data]
Tressl, Friese, et al., 1978
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H.,
Studies of the volatile composition of hops during storage,
J. Agric. Food Chem., 1978, 26, 6, 1426-1430, https://doi.org/10.1021/jf60220a036
. [all data]
Notes
Go To: Top, Kovats' 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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