(3R,3aR,3bR,4S,7R,7aR)-4-Isopropyl-3,7-dimethyloctahydro-1H-cyclopenta[1,3]cyclopropa[1,2]benzen-3-ol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-9(2)11-6-5-10(3)15-8-7-14(4,16)13(15)12(11)15/h9-13,16H,5-8H2,1-4H3
- IUPAC Standard InChIKey: KONGRWVLXLWGDV-UHFFFAOYSA-N
- CAS Registry Number: 38230-60-3
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Epicubebol; Cubebol, epi
- Information on this page:
- Other data available:
- Options:
Normal alkane 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 | HP-Innowax | Supelcowax-10 | Supelcowax-10 | HP Innowax FSP | Innowax |
| Column length (m) | 30. | 30. | 30. | 60. | 60. |
| Carrier gas | He | He | 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) | 60. | 40. | 40. | 60. | 60. |
| Tend (C) | 240. | 210. | 210. | 220. | 220. |
| Heat rate (K/min) | 2. | 2. | 2. | ||
| Initial hold (min) | 2. | 2. | 10. | 10. | |
| Final hold (min) | 20. | 33. | 33. | 10. | |
| I | 1928. | 1890. | 1863. | 1900. | 1900. |
| Reference | Hachicha, Skanji, et al., 2007 | Lopez Arze, Collin, et al., 2004 | Kabouss, Charrouf, et al., 2002 | Kaya, Baser, et al., 1999 | Kaya, Baser, et al., 1999, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | HP-Innowax | DB-Wax | DB-Wax | HP-Innowax FSC |
| Column length (m) | 60. | 60. | 30. | 60. |
| Carrier gas | He | He | N2 | He |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 45. | 60. |
| Tend (C) | 220. | 240. | 220. | 220. |
| Heat rate (K/min) | 4. | 3. | 4. | |
| Initial hold (min) | 10. | 10. | ||
| Final hold (min) | 10. | |||
| I | 1900. | 1895. | 1916. | 1900. |
| Reference | Kaya, Baser, et al., 1999, 3 | Ngassoum, Yonkeu, et al., 1999 | Molleken U., Sinnwell V., et al., 1998 | Tümen, Baser, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Hachicha, Skanji, et al., 2007
Hachicha, S.F.; Skanji, T.; Barrek, S.; Ghrabi, Z.G.; Zarrouk, H.,
Composition of the essential oil of Teucrium ramosissimum Desf. (Lamiaceae) from Tunisia,
Flavour Fragr. J., 2007, 22, 2, 101-104, https://doi.org/10.1002/ffj.1764
. [all data]
Lopez Arze, Collin, et al., 2004
Lopez Arze, J.B.; Collin, G.; Garneau, F.-X.; Jean, F.-I.; Gagnon, H.,
Essential oils from Bolivia. II. Asteraceae: Ophryosporus heptanthus (Wedd.) H. Rob. et King,
J. Essent. Oil Res., 2004, 16, 4, 374-376, https://doi.org/10.1080/10412905.2004.9698747
. [all data]
Kabouss, Charrouf, et al., 2002
Kabouss, A.E.; Charrouf, Z.; Faid, M.; Garneau, F.-X.; Collin, G.,
Chemical composition and antimicrobial activity of the leaf essential oil of Argania spinosa L. Skeels,
J. Essent. Oil Res., 2002, 14, 2, 147-149, https://doi.org/10.1080/10412905.2002.9699801
. [all data]
Kaya, Baser, et al., 1999
Kaya, A.; Baser, K.H.C.; Koca, F.,
Essential oils of Acinos troodi (Post) Leblebici subsp. vardaranus Leblebici and subsp. grandiflorus Hartvig Strid,
Flavour Fragr. J., 1999, 14, 1, 50-54, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<50::AID-FFJ783>3.0.CO;2-7
. [all data]
Kaya, Baser, et al., 1999, 2
Kaya, A.; Baser, K.H.C.; Demirci, B.; Koca, F.,
The essential oil of Acinos alpinus (L.) Moench growing in Turkey,
Flavour Fragr. J., 1999, 14, 1, 55-59, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<55::AID-FFJ784>3.0.CO;2-Q
. [all data]
Kaya, Baser, et al., 1999, 3
Kaya, A.; Baser, K.H.C.; Tümen, G.; Koca, F.,
The essential oil of Acinos suaveolens (Sm.) G. Don fil. Acinos arvensis (Lam.) Dandy and Acinos rotundifolius Pers. growing wild in Turkey,
Flavour Fragr. J., 1999, 14, 1, 60-64, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<60::AID-FFJ785>3.0.CO;2-0
. [all data]
Ngassoum, Yonkeu, et al., 1999
Ngassoum, M.B.; Yonkeu, S.; Jirovetz, L.; Buchbauer, G.; Schmaus, G.; Hammerschmidt, F.-J.H.,
Chemical composition of essential oils of Lantana camara leaves and flowers from Cameroon and Madagascar,
Flavour Fragr. J., 1999, 14, 4, 245-250, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<245::AID-FFJ819>3.0.CO;2-X
. [all data]
Molleken U., Sinnwell V., et al., 1998
Molleken U.; Sinnwell V.; Kubeczka K.H.,
TThe essential oil composition of fruits from Smyrnium perfoliatum,
Phytochemistry, 1998, 47, 6, 1079-1083, https://doi.org/10.1016/S0031-9422(98)80076-9
. [all data]
Tümen, Baser, et al., 1998
Tümen, G.; Baser, K.H.C.; Demirci, B.; Ermin, N.,
The essential oils of Satureja coerulea Janka and Thymus aznavourii Velen.,
Flavour Fragr. J., 1998, 13, 1, 65-67, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<65::AID-FFJ695>3.0.CO;2-Q
. [all data]
Notes
Go To: Top, Normal alkane 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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