Bicyclo[3.1.0]hex-2-ene, 2-methyl-5-(1-methylethyl)-
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChI: InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h4,7,9H,5-6H2,1-3H3
- IUPAC Standard InChIKey: KQAZVFVOEIRWHN-UHFFFAOYSA-N
- CAS Registry Number: 2867-05-2
- 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: 3-Thujene; α-Thujene; Thujene, α-; Origanene; 2-Methyl-5-(1-methylethyl)-bicyclo(3.1.0)hex-2-ene; Thujene; thujiene; α-Thuiene; 5-Isopropyl-2-methylbicyclo[3.1.0]hex-2-ene
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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 | Stabilwax | Supelcowax-10 | DB-Wax | Carbowax 20M | Carbowax 20M |
| Column length (m) | 30. | 30. | 30. | 50. | 50. |
| Carrier gas | N2 | He | |||
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 1. | 0.25 | 0.25 | 0.2 | 0.2 |
| Tstart (C) | 50. | 40. | 40. | 60. | 60. |
| Tend (C) | 220. | 210. | 220. | 260. | 260. |
| Heat rate (K/min) | 2. | 2. | 3. | 2. | 2. |
| Initial hold (min) | 3. | 2. | 5. | ||
| Final hold (min) | 15. | 33. | |||
| I | 1029. | 1032. | 1022. | 1020. | 1036. |
| Reference | Hazzit, Baaliouamer, et al., 2006 | Sylvestre, Pichette, et al., 2006 | Lopes, Strobl, et al., 2004 | Vera and Chane-Ming, 1999 | 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 | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 | Supelcowax-10 | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 60. | 60. |
| Carrier gas | He | ||||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | |||
| Phase thickness (μm) | |||||
| Tstart (C) | 40. | 40. | 40. | 35. | 40. |
| Tend (C) | 210. | 210. | 210. | 200. | 220. |
| Heat rate (K/min) | 2. | 2. | 2. | 3. | 2. |
| Initial hold (min) | 2. | 2. | 2. | 5. | 10. |
| Final hold (min) | 120. | 120. | 120. | 20. | |
| I | 1028. | 1020. | 1021. | 1025. | 1019. |
| Reference | Loayza, Abujder, et al., 1995 | Loayza, Abujder, et al., 1995 | Loayza, Abujder, et al., 1995 | Wong and Tie, 1993 | Umano and Shibamoto, 1988 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-Wax |
| Column length (m) | 60. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | |
| Tstart (C) | 40. |
| Tend (C) | 220. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | 10. |
| Final hold (min) | |
| I | 1017. |
| Reference | Umano and Shibamoto, 1988 |
| Comment | 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.
Hazzit, Baaliouamer, et al., 2006
Hazzit, M.; Baaliouamer, A.; Faleiro, M.L.; Miguel, M.G.,
Composition of the Essential Oils of Thymus and Origanum Species from Algeria and Their Antioxidant and Antimicrobial Activities,
J. Agric. Food Chem., 2006, 54, 17, 6314-6321, https://doi.org/10.1021/jf0606104
. [all data]
Sylvestre, Pichette, et al., 2006
Sylvestre, M.; Pichette, A.; Longtin, A.; Nagau, F.; Legault, J.,
Essential oil analysis and anticancer activity of leaf essential oil of Croton flavens L. from Guadeloupe,
J. Ethnopharmacol., 2006, 103, 1, 99-102, https://doi.org/10.1016/j.jep.2005.07.011
. [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]
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]
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]
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]
Umano and Shibamoto, 1988
Umano, K.; Shibamoto, T.,
A new method of headspace sampling: grapefruit volatiles
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 981-998. [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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