Bicyclo[3.1.0]hex-2-ene, 4-methylene-1-(1-methylethyl)-
- Formula: C10H14
- Molecular weight: 134.2182
- IUPAC Standard InChI: InChI=1S/C10H14/c1-7(2)10-5-4-8(3)9(10)6-10/h4-5,7,9H,3,6H2,1-2H3
- IUPAC Standard InChIKey: LBVRQJWOZIMWNY-UHFFFAOYSA-N
- CAS Registry Number: 36262-09-6
- 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. - Other names: 1-Isopropyl-4-methylenebicyclo[3.1.0]hex-2-ene; 2,4(10)-Thujadiene; 4-Methylene-1-(1-methylethyl)-bicyclo[3.1.0]hex-2-ene; Dehydrosabinene; Thuja-2,4(10)-diene; 2,4-Thujadiene; Dehydrosabinene (Thuja-2,4(10)-diene)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
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Normal alkane RI, non-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 | DB-5 | DB-5 | HP-5 | HP-5 MS | DB-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | N2 | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 45. | 60. | 50. | 60. |
| Tend (C) | 250. | 250. | 220. | 230. | 240. |
| Heat rate (K/min) | 3. | 3. | 5. | 3. | 3. |
| Initial hold (min) | 5. | 3. | 10. | 10. | |
| Final hold (min) | 20. | 5. | 10. | ||
| I | 945. | 974. | 959. | 957. | 956. |
| Reference | Cao, Li, et al., 2011 | Porto, Decorti, et al., 2009 | Flamini, Tebano, et al., 2008 | Adams, Beauchamp, et al., 2007 | Andrade, Oliveira, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | HP-5 | DB-5 | HP-5 MS |
| Column length (m) | 30. | 50. | 30. | 30. | 30. |
| Carrier gas | Helium | He | Helium | He | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 95. | 40. | 50. | 60. |
| Tend (C) | 260. | 240. | 260. | 240. | 280. |
| Heat rate (K/min) | 2.5 | 4. | 4. | 4. | 3. |
| Initial hold (min) | 1. | ||||
| Final hold (min) | 20. | ||||
| I | 940. | 939. | 946. | 953. | 960. |
| Reference | Monser-Esfahani, Karamkhani, et al., 2007 | Pala-Paul, Brophy, et al., 2007 | Ristic, Krivokuca-Dokic, et al., 2007 | Sefidkon, Abbasi, et al., 2007 | Vagionas, Graikou, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | SPB-1 | HP-5 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | He | Helium | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.20 | 0.25 | 0.25 | 0.3 |
| Phase thickness (μm) | 0.25 | 0.20 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 70. | 50. | 60. | 60. |
| Tend (C) | 250. | 220. | 300. | 220. | 240. |
| Heat rate (K/min) | 3. | 3. | 5. | 4. | 2. |
| Initial hold (min) | 5. | 5. | 5. | ||
| Final hold (min) | 10. | 15. | 5. | ||
| I | 979. | 947. | 944. | 962. | 958. |
| Reference | Vichi, Riu-Aumatell, et al., 2007 | Cavaleiro, Pinto, et al., 2006 | Figuérédo, Cabassu, et al., 2006 | Morteza-Semnani K., Saeedi M., et al., 2006 | Chagonda and Chalchat, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-1 | HP-5 | DB-1 | HP-5MS | DB-1 |
| Column length (m) | 50. | 30. | 30. | 30. | 50. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 50. | 60. | 60. |
| Tend (C) | 250. | 300. | 265. | 275. | 240. |
| Heat rate (K/min) | 2. | 5. | 2.5 | 4. | 3. |
| Initial hold (min) | 60. | 5. | 1. | ||
| Final hold (min) | 5. | 30. | |||
| I | 947. | 944. | 943. | 955. | 943. |
| Reference | Fernandez, Lizzani-Cuvelier, et al., 2005 | Figuérédo, Cabassu, et al., 2005 | Khalighi-Sigaroodi, Hadijiakhoondi, et al., 2005 | Sajjadi and Ghannadi, 2005 | Velasco-Negueruela, Pérez-Alonso, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-5 | HP-5 | DB-5 | SPB-5 |
| Column length (m) | 50. | 30. | 30. | 30. | 50. |
| Carrier gas | N2 | He | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 95. | 60. | 60. | 60. | 60. |
| Tend (C) | 240. | 240. | 220. | 240. | 240. |
| Heat rate (K/min) | 4. | 3. | 5. | 3. | 3. |
| Initial hold (min) | 10. | ||||
| Final hold (min) | 20. | ||||
| I | 953. | 955. | 958. | 959. | 945. |
| Reference | Perez-Alonso, Velasco-Negueruela, et al., 2003 | Zoghbi, Andrade, et al., 2003 | Gallori, Flamini, et al., 2001 | Tellez, Canel, et al., 1999 | Doneanu and Anitescu, 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-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.
Cao, Li, et al., 2011
Cao, H.; Li, Z.; Chen, X.,
QSRR study of GC retention indices of volatile compounds emitted from Mosla chinensis Maxim. by multiply linear regression,
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Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: comparison of three different extraction methods,
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Flamini, Tebano, et al., 2008
Flamini, G.; Tebano, M.; Cioni, P.L.,
Composition of the essential oils from leafy parts of the shoots, flowers and fruits of Eryngium amethystinum from Amiata Mount (Tuscany, Italy),
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Adams, Beauchamp, et al., 2007
Adams, R.P.; Beauchamp, P.S.; Dev, V.; Dutz, S.M.,
New Natural Products Isolated from One-Seeded Juniperus of the Southwestern United States: Isolation and Occurence of 2-Ethenyl-3-methyl Phanol and Its Derivatives,
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Andrade, Oliveira, et al., 2007
Andrade, E.H.A.; Oliveira, J.; Zoghbi, M.G.B.,
Volatiles of Anaxagorea dolichocarpa Spreng. Sandw. and Annona densicoma Mart. Growing Wild in the State of Pará, Brazil,
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Monser-Esfahani, Karamkhani, et al., 2007
Monser-Esfahani, H.R.; Karamkhani, F.; Nickavar, B.; Abdi, K.; Faramarzi, M.A.,
The Volatile Constituents of Dracocephalum kotschyi Oils,
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Pala-Paul, Brophy, et al., 2007
Pala-Paul, J.; Brophy, J.J.; Perez-Alonso, M.J.; Usano, J.; Soria, S.C.,
Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain,
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Ristic, Krivokuca-Dokic, et al., 2007
Ristic, M.; Krivokuca-Dokic, D.; Radanovic, D.; Nastovski, T.,
Etarsko ulje Arnica montata i Arnica chamissonis,
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Sefidkon, Abbasi, et al., 2007
Sefidkon, F.; Abbasi, K.; Jamzad, Z.; Ahmadi, S.,
The effect of distillation methods and stage of plant growth on the essential oil content and composition of Satureja rechingeri Jamzad,
Food Chem., 2007, 100, 3, 1054-1058, https://doi.org/10.1016/j.foodchem.2005.11.016
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Vagionas, Graikou, et al., 2007
Vagionas, K.; Graikou, K.; Ngassapa, O.; Runyoro, D.; Chinou, I.,
Composition and antimicrobial activity of the essential oils of three Satureja species growing in Tansania,
Food Chem., 2007, 103, 2, 319-324, https://doi.org/10.1016/j.foodchem.2006.07.051
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Vichi, Riu-Aumatell, et al., 2007
Vichi, S.; Riu-Aumatell, M.; Mora-Pons, M.; Guadayol, J.M.; Buxaderas, S.; López-Tamames, E.,
Analytical, Nutritional and Clinical Methods. HS-SPME coupled to GC/MS for quality control of Juniperus communis L. berries used for gin aromatization,
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Cavaleiro, Pinto, et al., 2006
Cavaleiro, C.; Pinto, E.; Gonsales, M.J.; Salguero, L.,
Antifungal activity of Juniperus essential oils agains dermatophyte, Asrgillus and Candida strains,
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Figuérédo, Cabassu, et al., 2006
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B.,
Studies of Mediterranean oregano populations. VIII. Chemical composition of essential oils of oreganos of various origins,
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Morteza-Semnani K., Saeedi M., et al., 2006
Morteza-Semnani K.; Saeedi M.; Changizi S.,
The essential oil composition of Hypericum scabrum L. from Iran,
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Chagonda and Chalchat, 2005
Chagonda, L.S.; Chalchat, J.-C.,
The essential oil of wild and cultivated Hoslundia opposita Vahl. from Zimbabwe,
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Fernandez, Lizzani-Cuvelier, et al., 2005
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Chemical composition of the essential oils from Turkish and Honduras Styrax,
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Figuérédo, Cabassu, et al., 2005
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B.,
Studies of Mediterranean oregano populations- V. Chemical composition of essential oils of oregano: Origanum syriacum L. var. bevanii (Holmes) Ietswaart, O. syriacum L. var. sinaicum (Boiss.) Ietswaart, and O. syriacum L. var. syriacum from Lebanon and Israel,
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Khalighi-Sigaroodi, Hadijiakhoondi, et al., 2005
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Velasco-Negueruela, Pérez-Alonso, et al., 2005
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Palá-Paúl, J.; Iñigo, A.; López, G.,
The volatile oil composition of the berries of Juniperus macrocarpa Sibth. and Sm., gathered in Spain,
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Perez-Alonso, Velasco-Negueruela, et al., 2003
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Variations in the essential oil composition of Artemisia pedemontana gathered in Spain: chemotype camphor-1,8-cineole and chemotype davanone,
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Zoghbi, Andrade, et al., 2003
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Gallori, Flamini, et al., 2001
Gallori, S.; Flamini, G.; Bilia, A.R.; Morelli, I.; Landini, A.; Vincieri, F.F.,
Chemical composition of some traditional herbal drug preparations: essential oil and aromatic water of costmary (Balsamita suaveolens Pers.),
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Tellez, Canel, et al., 1999
Tellez, M.R.; Canel, C.; Rimando, A.M.; Duke, S.O.,
Differential accumulation of isoprenoids in glanded and glandless Artemisia annua L,
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Doneanu and Anitescu, 1998
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Supercritical carbon dioxide extraction of Angelica archangelica L. root oil,
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Notes
Go To: Top, Normal alkane RI, non-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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