(1R,3aS,5aS,8aR)-1,3a,4,5a-Tetramethyl-1,2,3,3a,5a,6,7,8-octahydrocyclopenta[c]pentalene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-11-6-9-14(4)12(2)10-13(3)7-5-8-15(11,13)14/h10-11H,5-9H2,1-4H3
- IUPAC Standard InChIKey: SAOJPWFHRMUCFN-UHFFFAOYSA-N
- CAS Registry Number: 65372-78-3
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: Cyclopenta[c]pentalene, 1,2,3,3a,5a,6,7,8-octahydro-1,3a,4,5a-tetramethyl-, (1R,3aS,5aS,8aR)-; Cyclopenta[c]pentalene, 1,2,3,3a,5a,6,7,8-octahydro-1,3a,4,5a-tetramethyl-, [1R-(1α,3aα,5aβ,8aR*)]-; (-)-Isocomene; (-)-α-Isocomene; Berkheyaradulene; Isocomene; α-Isocomene
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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 | HP-5 MS | HP-5 | VF-5MS | ZB-1 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | Helium | Helium | Helium | Nitrogen | Nitrogen |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 60. | 240. | 45. | 60. |
| Tend (C) | 250. | 240. | 320. | 230. | 250. |
| Heat rate (K/min) | 3. | 3. | 20. | 3. | 5. |
| Initial hold (min) | 1. | 2. | 1. | ||
| Final hold (min) | 3. | 10. | |||
| I | 1374. | 1385. | 1392. | 1383. | 1386. |
| Reference | Jian-Yu, Zhu, et al., 2012 | Kahriman, Tosun, et al., 2011 | Kowalski, 2008 | Mierendorff, Stahl-Biskup, et al., 2008 | Mosayebi, Amin, et al., 2008 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | DB-5 | HP-5MS | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | He | 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 | |
| Tstart (C) | 40. | 50. | 60. | 35. | 60. |
| Tend (C) | 260. | 250. | 200. | 280. | 240. |
| Heat rate (K/min) | 4. | 3. | 4. | 4. | 2. |
| Initial hold (min) | 30. | 2. | |||
| Final hold (min) | 10. | 999. | |||
| I | 1380. | 1386. | 1378. | 1392. | 1382. |
| Reference | Ristic, Krivokuca-Dokic, et al., 2007 | Havlik, Kokoska, et al., 2006 | Gauvin and Smadja, 2005 | Kowalski and Wolski, 2005 | Miyazawa, Fuhita, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-5 | ZB-1 | OV-101 |
| Column length (m) | 50. | 30. | 30. |
| Carrier gas | Helium | N2 | N2 |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | ||
| Tstart (C) | 60. | 45. | 100. |
| Tend (C) | 240. | 230. | 220. |
| Heat rate (K/min) | 2. | 3. | 5. |
| Initial hold (min) | |||
| Final hold (min) | 999. | ||
| I | 1382. | 1383. | 1396. |
| Reference | Miyazawa, Fujita, et al., 2004 | Mierendorff, Stahl-Biskup, et al., 2003 | Menut, Lamaty, et al., 1997 |
| Comment | 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.
Jian-Yu, Zhu, et al., 2012
Jian-Yu, S.; Zhu, L.; Tian, Y.-J.,
Chemical composition and antimicrobial activities of essential oil of Matricaria songarica,
Int. J. Agriculture Biology, 2012, 14, 1, 107-110. [all data]
Kahriman, Tosun, et al., 2011
Kahriman, N.; Tosun, G.; Terzioglu, S.; Karaoglu, S.A.; Yayh, N.,
Chemical composition and antimicrobial activity of the essential oils from the flower, leaf, and stem of Senecio pandurifolis,
Rec. Nat. Prod., 2011, 5, 2, 82-91. [all data]
Kowalski, 2008
Kowalski, R.,
Antimicrobial activity of essential oils and extracts of rosinweed (Silphoum trifoliatum and Silphium integrifolium) plants used by the American Indians,
Flav. Fragr. J., 2008, 23, 6, 426-433, https://doi.org/10.1002/ffj.1901
. [all data]
Mierendorff, Stahl-Biskup, et al., 2008
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A.,
Composition of commercial Cape chamomile oil (Eriocephalus punctuatus / Eriocephalus tenuifolius), 2008, retrieved from http://www.chemische-analysen-hamburg.de/Publikationen?CapeChamomileOil/. [all data]
Mosayebi, Amin, et al., 2008
Mosayebi, M.; Amin, G.; Arzani, H.; Azarnivand, H.; Maleki, M.; Shafaghat, A.,
Effect of habitat on essential oil of Achillea filipendula L. in Iran,
Asian J. Plant Sci., 2008, 7, 8, 779-781, https://doi.org/10.3923/ajps.2008.779.781
. [all data]
Ristic, Krivokuca-Dokic, et al., 2007
Ristic, M.; Krivokuca-Dokic, D.; Radanovic, D.; Nastovski, T.,
Etarsko ulje Arnica montata i Arnica chamissonis,
Hem. Ind., 2007, 61, 5, 272-277, https://doi.org/10.2298/HEMIND0704272R
. [all data]
Havlik, Kokoska, et al., 2006
Havlik, J.; Kokoska, L.; Vasickova, S.; Valterova, I.,
Chemical composition of essential oil from the seeds of Nigella arvensis L. and assessment of its actimicrobial activity,
Flavour Fragr. J., 2006, 21, 4, 713-717, https://doi.org/10.1002/ffj.1713
. [all data]
Gauvin and Smadja, 2005
Gauvin, A.; Smadja, J.,
Essential oil composition of four Psiadia species from Reunion Island: A chemotaxonomic study,
Biochem. Syst. Ecol., 2005, 33, 7, 705-714, https://doi.org/10.1016/j.bse.2004.12.013
. [all data]
Kowalski and Wolski, 2005
Kowalski, R.; Wolski, T.,
The chemical composition of essential oils of Silphium perfoliatum L.,
Flavour Fragr. J., 2005, 20, 3, 306-310, https://doi.org/10.1002/ffj.1418
. [all data]
Miyazawa, Fuhita, et al., 2004
Miyazawa, M.; Fuhita, T.; Yamafuji, C.; Matsui, M.; Kasahara, N.; Takagi, Y.; Ishikawa, Y.,
Chemical composition of volatile oil from the roots of Periploca sepium,
J. Oleo Sci., 2004, 53, 10, 511-513, https://doi.org/10.5650/jos.53.511
. [all data]
Miyazawa, Fujita, et al., 2004
Miyazawa, M.; Fujita, T.; Yamafuji, C.; Matsui, M.; Kasahara, N.; Takagi, Y.; Ishikawa, Y.,
Chemical composition of volatile oil from the roots of Periploca sepium,
J. Oleo Sci., 2004, 53, 11, 511-513, https://doi.org/10.5650/jos.53.511
. [all data]
Mierendorff, Stahl-Biskup, et al., 2003
Mierendorff, H.-G.; Stahl-Biskup, E.; Posthumus, M.A.; van Beek, T.A.,
Composition of commercial Cape chamomile oil (Eriocephalus punctulatus),
Flavour Fragr. J., 2003, 18, 6, 510-514, https://doi.org/10.1002/ffj.1259
. [all data]
Menut, Lamaty, et al., 1997
Menut, C.; Lamaty, G.; Weyerstahl, P.; Marschall, H.; Seelmann, I.; Amvam Zollo, P.H.,
Aromatic plants of tropical central Africa. Part XXXI. Tricyclic sesquiterpenes from the root essential oil of Echinops giganteus var. lelyi C. D. Adams,
Flavour Fragr. J., 1997, 12, 6, 415-421, https://doi.org/10.1002/(SICI)1099-1026(199711/12)12:6<415::AID-FFJ666>3.0.CO;2-T
. [all data]
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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