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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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- Other data available:
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Van Den Dool and Kratz 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 | DB-5 | BPX-5 | SE-52 | DB-5 | SE-52 |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.15 | |
| Program | 40C(2min) => 4C/min => 220C => 20C/min => 280C | 35C(5min) => 3C/min => 210C => 40C/min => 240C (4min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) | not specified | 45C => 1C/min => 100C => 5C/min => 250C(10min) |
| I | 1047. | 1054. | 1051. | 1038. | 1050. |
| Reference | Andrade, Sampaio, et al., 2007 | Cardeal, da Silva, et al., 2006 | Guerrini, Sacchetti, et al., 2006 | Özel, Gögüs, et al., 2006 | Sacchetti, Guerrini, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-52 | SE-52 | 5 % Phenyl methyl siloxane | DB-5 | DB-5MS |
| Column length (m) | 30. | 25. | 30. | 30. | 30. |
| Carrier gas | He | H2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.15 | 0.43 | 0.15 | 1. | 0.25 |
| Program | 45C => 1C/min => 100C => 5C/min => 250C(10min) | 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C (10min) | 40 (5min) => 4C/min => 140C => 4C/min => 200C (20min) |
| I | 1051. | 1045. | 1050. | 1038. | 1046. |
| Reference | Bruni, Pellati, et al., 2005 | Lorenzo, Paz, et al., 2005 | Sacchetti, Maietti, et al., 2005 | Wang, Finn, et al., 2005 | Zheng, Kim, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5MS | SE-52 | DB-5 | SE-52 | SE-52 |
| Column length (m) | 30. | 25. | 30. | 25. | 30. |
| Carrier gas | He | H2 | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.52 |
| Phase thickness (μm) | 0.25 | 0.43 | 1. | 0.4 | 0.15 |
| Program | 40 (5min) => 4C/min => 140C => 4C/min => 200C (20min) | 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min) | 40C (2min) => 5C/min => 100C => 4C/min => 230C (10min) | 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min) | 45C => 1C/min => 100C => 5C/min => 250C (10min) |
| I | 1044. | 1049. | 1043. | 1049. | 1050. |
| Reference | Zheng, Kim, et al., 2005 | Frizzo, Lorenzo, et al., 2004 | Klesk, Qian, et al., 2004 | Lorenzo, Paz, et al., 2004 | Sacchetti, Medici, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5MS | DB-5 | SE-52 | SE-52 | SE-52 |
| Column length (m) | 30. | 30. | 25. | 25. | 30. |
| Carrier gas | He | He | He | H2 | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.40 | 0.42 |
| Program | 40C(5min) => 4C/min => 160C => 8C/min => 240C (15min) | 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) | 60C(8min) => 3C/min => 180C => 20C/min => 230C | 60 C (8 min) 3 C/min -> 180 C 20 C/min -> 250 C (10 min) | 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min) |
| I | 1048. | 1042. | 1045. | 1046. | 1048. |
| Reference | Kim, Lee, et al., 2003 | Klesk and Qian, 2003 | Lorenzo, Loayza, et al., 2003 | Lorenzo, Loayza, et al., 2002 | Lorenzo, Paz, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-1 | CP Sil 8 CB | SE-52 | DB-5MS | BP-1 |
| Column length (m) | 50. | 60. | 30. | 30. | |
| Carrier gas | H2 | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.32 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.40 | 0.25 | |
| Program | not specified | 0C => rapidly => 40C(8min) => 4C/min => 250C(10min) | 60 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 250 0C (10 min) | 60 0C (3 min) 2 K/min -> 220 0C 5 K/min -> 250 0C (15 min) | not specified |
| I | 1037. | 1051. | 1048. | 1055. | 1037. |
| Reference | Cavalli, Ranarivelo, et al., 2001 | Duckham, Dodson, et al., 2001 | Lorenzo, Paz, et al., 2001 | Boulanger and Crouzet, 2000 | Filippini, Tomi, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-5 | DB-5 | SE-52 |
| Column length (m) | 30. | 30. | 25. |
| Carrier gas | H2 | H2 | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Program | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 40C(5min) => 2C/min => 220C => 5C/min => 250C(15min) | 60 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 230 0C |
| I | 1047. | 1050. | 1038. |
| Reference | Boulanger, Chassagne, et al., 1999 | Boulanger, Chassagne, et al., 1999 | Loayza, de Groot, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Andrade, Sampaio, et al., 2007
Andrade, M.S.; Sampaio, T.S.; Nogueira, P.C.L.; Ribeiro, A.S.; Bittrich, V.; Amaral, M.C.E.,
Volatile compounds of the leaves, flowers and fruits of Kielmeyera rugosa Choisy (Clusiaceae),
Flavour Fragr. J., 2007, 22, 1, 49-52, https://doi.org/10.1002/ffj.1751
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Cardeal, da Silva, et al., 2006
Cardeal, Z.L.; da Silva, M.D.R.G.; Marriott, P.J.,
Comprehensive two-dimensional gas chromatography/mass spectrometric analysis of pepper volatiles,
Rapid Commun. Mass Spectrom., 2006, 20, 19, 2823-2836, https://doi.org/10.1002/rcm.2665
. [all data]
Guerrini, Sacchetti, et al., 2006
Guerrini, A.; Sacchetti, G.; Muzzoli, M.; Rueda, G.M.; Medici, A.; Besco, E.; Bruni, R.,
Composition of the Volatile Fraction of Ocotea bofo Kunth (Lauraceae) Calyces by GC-MS and NMR Fingerprinting and Its Antimicrobial and Antioxidant Activity,
J. Agric. Food Chem., 2006, 54, 20, 7778-7788, https://doi.org/10.1021/jf0605493
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Özel, Gögüs, et al., 2006
Özel, M.Z.; Gögüs, F.; Lewis, A.C.,
Determination of Teucrium chamaedrys volatiles by using direct thermal desorption-comprehensive two-dimensional gas chromatography-time-of-flight mass spectrometry,
J. Chromatogr. A, 2006, 1114, 1, 164-169, https://doi.org/10.1016/j.chroma.2006.02.036
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Sacchetti, Guerrini, et al., 2006
Sacchetti, G.; Guerrini, A.; Noriega, P.; Bianchi, A.; Bruni, R.,
Essential oil of wild Ocotea quixos (Lam.) Kosterm. (Lauraceae) leaves from Amazonian Ecuador,
Flavour Fragr. J., 2006, 21, 4, 674-676, https://doi.org/10.1002/ffj.1648
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Bruni, Pellati, et al., 2005
Bruni, R.; Pellati, F.; Grazia Bellardi, M.; Benvenuti, S.; Paltrinieri, S.; Bertaccini, A.; Bianchi, A.,
Herbal drug quality and phytochemical composition of Hypericum perforatum L. affected by ash yellows phytoplasma infection,
J. Agric. Food Chem., 2005, 53, 4, 964-968, https://doi.org/10.1021/jf0487654
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Lorenzo, Paz, et al., 2005
Lorenzo, D.; Paz, D.; Davies, P.; Villamil, J.; Vila, R.; Canigueral, S.; Dellacassa, E.,
Application of Multidimensional Gas Chromatography to the Enantioselective Characterisation of the Essential Oil of Eupatorium buniifolium Hooker et Arnott,
Phytochem. Anal., 2005, 16, 1, 39-44, https://doi.org/10.1002/pca.808
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Sacchetti, Maietti, et al., 2005
Sacchetti, G.; Maietti, S.; Muzzoli, M.; Scaglianti, M.; Manfredini, S.; Radice, M.; Bruni, R.,
Comparative evaluation of 11 essential oils of different origin as functional antioxidants, antiradicals and antimicrobials in foods,
Food Chem., 2005, 91, 4, 621-632, https://doi.org/10.1016/j.foodchem.2004.06.031
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Wang, Finn, et al., 2005
Wang, Y.; Finn, C.; Qian, M.C.,
Impact of Growing Environment on Chickasaw Blackberry ( Rubus L.) Aroma Evaluated by Gas Chromatography Olfactometry Dilution Analysis,
J. Agric. Food Chem., 2005, 53, 9, 3563-3571, https://doi.org/10.1021/jf048102m
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Zheng, Kim, et al., 2005
Zheng, C.H.; Kim, K.H.; Kim, T.H.; Lee, H.J.,
Analysis and characterization of aroma-active compounds of Schizandra chinensis (omija) leaves,
J. Sci. Food Agric., 2005, 85, 1, 161-166, https://doi.org/10.1002/jsfa.1975
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Frizzo, Lorenzo, et al., 2004
Frizzo, C.D.; Lorenzo, D.; Dellacassa, E.,
Composition and seasonal variation of the essential oils from two mandarin cultivars of Southern Brazil,
J. Agric. Food Chem., 2004, 52, 10, 3036-3041, https://doi.org/10.1021/jf030685x
. [all data]
Klesk, Qian, et al., 2004
Klesk, K.; Qian, M.; Martin, R.R.,
Aroma extract dilution analysis of cv. meeker (Rubus idaeus L.) red raspberries from Oregon and Washington,
J. Agric. Food Chem., 2004, 52, 16, 5155-5161, https://doi.org/10.1021/jf0498721
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Lorenzo, Paz, et al., 2004
Lorenzo, D.; Paz, D.; Davies, P.; Villamil, J.; Vila, R.; Cañigueral, S.; Dellacassa, E.,
Characterization and enantiomeric distribution of some terpenes in the essential oil of a Uruguayan biotype of Salvia sclarea L.,
Flavour Fragr. J., 2004, 19, 4, 303-307, https://doi.org/10.1002/ffj.1282
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Sacchetti, Medici, et al., 2004
Sacchetti, G.; Medici, A.; Maietti, S.; Radice, M.; Muzzoli, M.; Manfredini, S.; Braccioli, E.; Bruni, R.,
Composition and functional properties of the essential oil of Amazonian basil, Ocimum micranthum Willd., Labiatae in comparison with commercial essential oils,
J. Agric. Food Chem., 2004, 52, 11, 3486-3491, https://doi.org/10.1021/jf035145e
. [all data]
Kim, Lee, et al., 2003
Kim, T.H.; Lee, S.M.; Kim, Y.-S.; Kim, K.H.; Oh, S.; Lee, H.J.,
Aroma dilution method using GC injector split ratio for volatile compounds extracted by headspace solid phase microextraction,
Food Chem., 2003, 83, 1, 151-158, https://doi.org/10.1016/S0308-8146(03)00221-8
. [all data]
Klesk and Qian, 2003
Klesk, K.; Qian, M.,
Aroma extract dilution analysis of Cv. Marion (Rubus spp. hyb) and Cv. Evergreen (R. Iaciniatus L.) blackberries,
J. Agric. Food Chem., 2003, 51, 11, 3436-3441, https://doi.org/10.1021/jf0262209
. [all data]
Lorenzo, Loayza, et al., 2003
Lorenzo, D.; Loayza, I.; Dellacassa, E.,
Composition of the essential oils from leaves of two Hedyosmum spp. from Bolivia,
Flavour Fragr. J., 2003, 18, 1, 32-35, https://doi.org/10.1002/ffj.1146
. [all data]
Lorenzo, Loayza, et al., 2002
Lorenzo, D.; Loayza, I.; Dellacassa, E.,
Composition of the essential oil of Tagetes maxima Kuntze from Bolivia,
Flavour Fragr. J., 2002, 17, 2, 115-118, https://doi.org/10.1002/ffj.1062
. [all data]
Lorenzo, Paz, et al., 2002
Lorenzo, D.; Paz, D.; Dellacassa, E.; Davies, P.; Vila, R.; Cañigueral, S.,
Essential oils of Mentha pulegium and Mentha rotundifolia from Uruguay,
Braz. Arch. Biol. Technol., 2002, 45, 4, 519-524, https://doi.org/10.1590/S1516-89132002000600016
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Cavalli, Ranarivelo, et al., 2001
Cavalli, J.-F.; Ranarivelo, L.; Ratsimbason, M.; Bernardini, A.-F.; Casanova, J.,
Constituents of the essential oil of six Helichrysum species from Madagascar,
Flavour Fragr. J., 2001, 16, 4, 253-256, https://doi.org/10.1002/ffj.994
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Duckham, Dodson, et al., 2001
Duckham, S.C.; Dodson, A.T.; Bakker, J.; Ames, J.M.,
Volatile flavour components of baked potato flesh. A comparison of eleven potato cultivars,
Nahrung/Food, 2001, 45, 5, 317-323, https://doi.org/10.1002/1521-3803(20011001)45:5<317::AID-FOOD317>3.0.CO;2-4
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Lorenzo, Paz, et al., 2001
Lorenzo, D.; Paz, D.; Davies, P.; Vila, R.; Canigueral, S.; Dellacassa, E.,
Composition of a new essential oil type of Lippia alba (Mill.) N.E. Brown from Uruguay,
Flavour Fragr. J., 2001, 16, 5, 356-359, https://doi.org/10.1002/ffj.1011
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Boulanger and Crouzet, 2000
Boulanger, R.; Crouzet, J.,
Free and bound flavour components of Amazonian fruits: 2. cupuacu volatile compounds,
Flavour Fragr. J., 2000, 15, 4, 251-257, https://doi.org/10.1002/1099-1026(200007/08)15:4<251::AID-FFJ905>3.0.CO;2-2
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Filippini, Tomi, et al., 2000
Filippini, M.-H.; Tomi, F.; Casanova, J.,
Composition of the leaf oil of Ferula arrigonii Bocchieri,
Flavour Fragr. J., 2000, 15, 3, 195-198, https://doi.org/10.1002/1099-1026(200005/06)15:3<195::AID-FFJ891>3.0.CO;2-6
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Boulanger, Chassagne, et al., 1999
Boulanger, R.; Chassagne, D.; Crouzet, J.,
Free and bound flavour components of amazonian fruits. 1: Bacuri,
Flavour Fragr. J., 1999, 14, 5, 303-311, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<303::AID-FFJ834>3.0.CO;2-C
. [all data]
Loayza, de Groot, et al., 1999
Loayza, I.; de Groot, W.; Lorenzo, D.; Dellacassa, E.; Mondello, L.; Dugo, G.,
Composition of the essential oil of Porophyllum ruderale (Jacq.) Cass. from Bolivia,
Flavour Fragr. J., 1999, 14, 6, 393-398, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<393::AID-FFJ849>3.0.CO;2-5
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
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