1H-Benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4a,7-tetramethyl-, cis-
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-11-15(4,16)9-6-12(13)14/h6,16H,5,7-11H2,1-4H3/t14?,15-/m0/s1
- IUPAC Standard InChIKey: BXGVVQADPFXGHD-LOACHALJSA-N
- CAS Registry Number: 6892-80-4
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1H-Benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4aα,7β-tetramethyl-; Widdrol; (4aS,7S)-1,1,4a,7-Tetramethyl-2,3,4,4a,5,6,7,8-octahydro-1H-benzo[7]annulen-7-ol; 1,1,4a,7-Tetramethyl-2,3,4,4a,5,6,7,8-octahydro-1H-benzo[a]cyclohepten-7-ol
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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 | CP-Sil 5 CB | HP-5 MS | CP Sil 5 CB | DB-1 |
| Column length (m) | 30. | 30. | 30. | 25. | 60. |
| Carrier gas | Nitrogen | Helium | 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. | 50. | 60. | 80. | 60. |
| Tend (C) | 300. | 200. | 300. | 270. | 250. |
| Heat rate (K/min) | 15. | 5. | 15. | 10. | 5. |
| Initial hold (min) | 2. | 2. | |||
| Final hold (min) | 10. | 10. | 10. | ||
| I | 1651. | 1618. | 1651. | 1592. | 1630. |
| Reference | Xu, Han, et al., 2012 | Hnawia, Menut, et al., 2009 | Xu, Han, et al., 2009 | Ayoub, Al-Azizi, et al., 2006 | Hadian, Sonboli, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | HP-5MS | HP-5MS | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 60. | 35. | 60. |
| Tend (C) | 250. | 280. | 243. | 280. | 285. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. | 3. |
| Initial hold (min) | 5. | 2. | |||
| Final hold (min) | 15. | ||||
| I | 1602. | 1597. | 1592. | 1613. | 1606. |
| Reference | Navaei and Mirza, 2006 | Pitarokili, Tzakou, et al., 2006 | Sabulal, Dan, et al., 2006 | Krauze-Baranowska, Mardarowicz, et al., 2002 | Santos-Gomes and Fernandes-Ferreira, 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-1 | SPB-1 | DB-1 |
| Column length (m) | 30. | 30. | 60. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.2 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | ||
| Tstart (C) | 60. | 50. | 60. |
| Tend (C) | 240. | 250. | 230. |
| Heat rate (K/min) | 3. | 2. | 3. |
| Initial hold (min) | |||
| Final hold (min) | 5. | ||
| I | 1610.0 | 1570. | 1596. |
| Reference | Santos, Moreira, et al., 2001 | Vijayanand, Rao, et al., 2001 | Shafiee, Javidnia, et al., 1999 |
| 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.
Xu, Han, et al., 2012
Xu, L.-L.; Han, T.; Wu, J.-Z.; Zhang, Q.-Y.; Zhang, H.; Huang, B.-K.; Rahman, K.,
Comparative research of chemical constituents, antifungal and antitumor properties of ether extracts of Panax ginseng and its endophytic fungus, 2012, retrieved from http://www.thefreelibrary.com/Comparative .... [all data]
Hnawia, Menut, et al., 2009
Hnawia, E.; Menut, C.; Agrebi, A.; Cabalion, P.,
Wood essential oil of two endemic trees from New Caledonia: Callitris sulcata (Parl.) Schltr. and Callitris neocaledonica Dummer,
Biochem. Systematics Ecol., 2009, 36, 11, 859-866, https://doi.org/10.1016/j.bse.2008.08.007
. [all data]
Xu, Han, et al., 2009
Xu, L.-L.; Han, T.; Wu, J.-Z.; Zhang, Q.-Y.; Zhang, H.; Huang, B.-K.; Rahman, K.,
Comparative research of chemical constituents, antifungal and antitumor properties of ether extracts of Panax ginseng and its endophytic fungus,
Phytomedicine: Int. J. Phytotherapy Phytopharmacology, 2009, 16, 6-7, 609-616, https://doi.org/10.1016/j.phymed.2009.03.014
. [all data]
Ayoub, Al-Azizi, et al., 2006
Ayoub, N.; Al-Azizi, M.; König, W.; Kubeczka, K.-H.,
Essential oils and a novel polyacetylene from Eryngium yuccifolium Michaux. (Apiaceae),
Flavour Fragr. J., 2006, 21, 6, 864-868, https://doi.org/10.1002/ffj.1631
. [all data]
Hadian, Sonboli, et al., 2006
Hadian, J.; Sonboli, A.; Ebrahimi, S.N.; Mirjalili, M.H.,
Essential oil composition of Nepeta satureioides from Iran,
Chem. Nat. Compd. (Engl. Transl.), 2006, 42, 2, 175-177, https://doi.org/10.1007/s10600-006-0071-0
. [all data]
Navaei and Mirza, 2006
Navaei, M.N.; Mirza, M.,
Chemical composition of the oil of Eremostachys laciniata (L.) Bunge from Iran,
Flavour Fragr. J., 2006, 21, 4, 645-646, https://doi.org/10.1002/ffj.1635
. [all data]
Pitarokili, Tzakou, et al., 2006
Pitarokili, D.; Tzakou, O.; Loukis, A.,
Essential oil composition of Salvia verticillata, S. verbenaca, S. glutinosa and S. candidissima growing wild in Greece,
Flavour Fragr. J., 2006, 21, 4, 670-673, https://doi.org/10.1002/ffj.1647
. [all data]
Sabulal, Dan, et al., 2006
Sabulal, B.; Dan, M.; Pradeep, N.S.; Valsamma, R.K.; George, V.,
Composition and antimicrobial activity of essential oil from the fruits of Amomum cannicarpum,
Acta Pharm. Sin., 2006, 56, 473-480. [all data]
Krauze-Baranowska, Mardarowicz, et al., 2002
Krauze-Baranowska, M.; Mardarowicz, M.; Wiwart, M.,
The chemical composition of Microbiota decussata,
Z. Naturforsch. C:, 2002, 57c, 998-1003. [all data]
Santos-Gomes and Fernandes-Ferreira, 2001
Santos-Gomes, P.C.; Fernandes-Ferreira, M.,
Organ- and season-dependent variation in the essential oil composition of Salvia officinalis L. cultivated at two different sites,
J. Agric. Food Chem., 2001, 49, 6, 2908-2916, https://doi.org/10.1021/jf001102b
. [all data]
Santos, Moreira, et al., 2001
Santos, P.R.; Moreira, D.L.; Guimaraes, E.F.; Kaplan, M.A.C.,
Essential oil analysis of 10 piperaceae species from the Brazilian Atlantic forest,
Phytochemistry, 2001, 58, 4, 547-551, https://doi.org/10.1016/S0031-9422(01)00290-4
. [all data]
Vijayanand, Rao, et al., 2001
Vijayanand, P.; Rao, L.J.M.; Narasimham, P.,
Volatile flavour components of jamun fruit (Syzygium cumini L),
Flavour Fragr. J., 2001, 16, 1, 47-49, https://doi.org/10.1002/1099-1026(200101/02)16:1<47::AID-FFJ944>3.0.CO;2-L
. [all data]
Shafiee, Javidnia, et al., 1999
Shafiee, A.; Javidnia, K.; Tabatabai, M.,
Volatile constituents and antimicrobial activity of zataria multiflora, population Iran,
Iran J. Chem. Chem. Eng., 1999, 18, 1, 1-5. [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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