1H-Benzocycloheptene, 2,4a,5,6,7,8,9,9a-octahydro-3,5,5-trimethyl-9-methylene-, (4aS-cis)-
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChIKey: ZJSIKVDEOWWVEH-UHFFFAOYSA-N
- CAS Registry Number: 3853-83-6
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1H-Benzocycloheptene, 2,4aα,5,6,7,8,9,9aα-octahydro-3,5,5-trimethyl-9-methylene-; α-Himachalene; 1H-Benzocycloheptene, 2,4a,5,6,7,8,9,9a-octahydro-3,5,5-trimethyl-9-methylene-, cis-; (4aS,9aR)-3,5,5-Trimethyl-9-methylene-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[7]annulene; 3,5,5-Trimethyl-9-methylene-2,4a,5,6,7,8,9,9a-octahydro-1H-benzo[a]cycloheptene; (+)-α-himachalene
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Van Den Dool and Kratz 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 | HP-5MS | RTX-1 | DB-5 | RTX-1 | HP-5MS |
Column length (m) | 30. | 60. | 30. | 60. | 30. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.22 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 50. | 60. | 60. |
Tend (C) | 250. | 230. | 250. | 230. | 300. |
Heat rate (K/min) | 2. | 2. | 3. | 2. | 3. |
Initial hold (min) | 8. | ||||
Final hold (min) | 30. | 35. | 10. | 45. | |
I | 1450. | 1447. | 1449. | 1447. | 1444. |
Reference | Benkaci-Ali, Baaliouamer, et al., 2007 | Paolini J., Costa J., et al., 2007 | Yu, Liao, et al., 2007 | Cavalli, Tomi, et al., 2006 | Silva-Brandão, Solferini, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | RTX-5 | DB-5 | DB-5 |
Column length (m) | 30. | 30. | 30. |
Carrier gas | He | He | He |
Substrate | |||
Column diameter (mm) | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
Tstart (C) | 45. | 60. | 60. |
Tend (C) | 250. | 240. | 240. |
Heat rate (K/min) | 3. | 3. | 3. |
Initial hold (min) | 6. | 2. | 2. |
Final hold (min) | |||
I | 1447. | 1448. | 1448. |
Reference | Shellie, Marriott, et al., 2003 | Maia, de Paula, et al., 2000 | Maia, de Paula, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Benkaci-Ali, Baaliouamer, et al., 2007
Benkaci-Ali, F.; Baaliouamer, A.; Meklati, B.Y.; Chemat, F.,
Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation,
Flavour Fragr. J., 2007, 22, 2, 148-153, https://doi.org/10.1002/ffj.1773
. [all data]
Paolini J., Costa J., et al., 2007
Paolini J.; Costa J.; Bernardini A.F.,
Analysis of the essential oil from the roots of Eupatorium cannabinum subsp corsicum (L.) by GC, GC-MS and C-13-NMR,
Phytochem. Anal., 2007, 18, 3, 235-244, https://doi.org/10.1002/pca.977
. [all data]
Yu, Liao, et al., 2007
Yu, J.Q.; Liao, Z.X.; Cai, X.Q.; Lei, J.C.; Zou, G.L.,
Composition, antimicrobial activity and cytotoxicity of essential oils from Aristolochia mollissima,
Environmental Toxicology and Pharmacology, 2007, 23, 2, 162-167, https://doi.org/10.1016/j.etap.2006.08.004
. [all data]
Cavalli, Tomi, et al., 2006
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Chemical variability of the essential oil of Helichrysum faradifani Sc. Ell. from Madagascar,
Flavour Fragr. J., 2006, 21, 1, 111-114, https://doi.org/10.1002/ffj.1531
. [all data]
Silva-Brandão, Solferini, et al., 2006
Silva-Brandão, K.L.; Solferini, V.N.; Trigo, J.R.,
Chemical and phylogenetic relationships among Aristolochia L. (Aristolochiaceae) from southeastern Brazil,
Biochem. Syst. Ecol., 2006, 34, 4, 291-302, https://doi.org/10.1016/j.bse.2005.10.011
. [all data]
Shellie, Marriott, et al., 2003
Shellie, R.; Marriott, P.; Zappia, G.; Mondello, L.; Dugo, G.,
Interactive use of linear retention indices on polar and apolar columns with an MS-Library for reliable characterization of Australian tea tree and other Melaleuca sp. oils,
J. Essent. Oil Res., 2003, 15, 5, 305-312, https://doi.org/10.1080/10412905.2003.9698597
. [all data]
Maia, de Paula, et al., 2000
Maia, B.H.L.N.S.; de Paula, J.R.; Sant'Ana, J.; da Silva, M.F.G.F.; Fernandes, J.B.; Vieira, P.C.; Costa, M.S.S.; Ohashi, O.S.; Silva, J.N.M.,
Essential oils of Toona and Cedrela species (Meliaceae): Taxonomic and ecological implications,
J. Braz. Chem. Soc., 2000, 11, 6, 629-639, https://doi.org/10.1590/S0103-50532000000600012
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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