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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Mass spectrum (electron ionization)
Go To: Top, Gas Chromatography, 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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Chemical Concepts |
| NIST MS number | 156976 |
Gas Chromatography
Go To: Top, Mass spectrum (electron ionization), 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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1616.6 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1651. | Xu, Han, et al., 2012 | 30. m/0.25 mm/0.25 μm, 60. C @ 2. min, 15. K/min, 300. C @ 10. min |
| Capillary | CP-Sil 5 CB | 1618. | Hnawia, Menut, et al., 2009 | 30. m/0.25 mm/0.25 μm, Nitrogen, 5. K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | HP-5 MS | 1651. | Xu, Han, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 15. K/min, 300. C @ 10. min |
| Capillary | CP Sil 5 CB | 1592. | Ayoub, Al-Azizi, et al., 2006 | He, 10. K/min; Column length: 25. m; Tstart: 80. C; Tend: 270. C |
| Capillary | DB-1 | 1630. | Hadian, Sonboli, et al., 2006 | 60. m/0.25 mm/0.25 μm, 5. K/min, 250. C @ 10. min; Tstart: 60. C |
| Capillary | DB-5 | 1602. | Navaei and Mirza, 2006 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3. K/min; Tend: 250. C |
| Capillary | HP-5MS | 1597. | Pitarokili, Tzakou, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5MS | 1592. | Sabulal, Dan, et al., 2006 | 30. m/0.32 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 243. C |
| Capillary | DB-5 | 1613. | Krauze-Baranowska, Mardarowicz, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 4. K/min, 280. C @ 15. min |
| Capillary | DB-5 | 1606. | Santos-Gomes and Fernandes-Ferreira, 2001 | 30. m/0.25 mm/0.25 μm, H2, 3. K/min; Tstart: 60. C; Tend: 285. C |
| Capillary | DB-1 | 1610.0 | Santos, Moreira, et al., 2001 | He, 3. K/min; Column length: 30. m; Column diameter: 0.2 mm; Tstart: 60. C; Tend: 240. C |
| Capillary | SPB-1 | 1570. | Vijayanand, Rao, et al., 2001 | 30. m/0.32 mm/0.25 μm, He, 2. K/min; Tstart: 50. C; Tend: 250. C |
| Capillary | DB-1 | 1596. | Shafiee, Javidnia, et al., 1999 | He, 3. K/min, 230. C @ 5. min; Column length: 60. m; Column diameter: 0.32 mm; Tstart: 60. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1587. | Vinogradov, 2004 | Program: not specified |
| Capillary | Polydimethyl siloxanes | 1587. | Zenkevich, 1997 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax FSC | 2179. | Sezik E., Kocakulak E., et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Innowax | 2178. | Tunaher, Kirimer, et al., 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C (20min) |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
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]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Zenkevich, 1997
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Spectral Identificaiton. Oxsigenated derivatives of Mono- and Sesquiterpene Hydrocarbons,
Rastit, Resursy (Rus.), 1997, 33, 1, 16-28. [all data]
Sezik E., Kocakulak E., et al., 2005
Sezik E.; Kocakulak E.; Baser K.H.C.; Ozek T.,
Composition of the essential oils of Juniperus oxycedrus subsp macrocarpa from Turkey,
Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 3, 352-354, https://doi.org/10.1007/s10600-005-0149-0
. [all data]
Tunaher, Kirimer, et al., 2003
Tunaher, Z.; Kirimer, N.; Baser, K.H.C.,
Wood essential oils of Juniperus foetidissima Willd.,
Holzforschung, 2003, 57, 140-144. [all data]
Notes
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, References
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