1H-Benzocyclohepten-9-ol, 2,4a-β,5,6,7,8,9,9a-β-octahydro-3,5,5,9-β-tetramethyl-
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-11-6-7-12-13(10-11)14(2,3)8-5-9-15(12,4)16/h10,12-13,16H,5-9H2,1-4H3
- IUPAC Standard InChIKey: BBAMLNIPVMLTSQ-UHFFFAOYSA-N
- CAS Registry Number: 1891-45-8
- 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. - Stereoisomers:
- Other names: Himachalol; 2,4a-β,5,6,7,8,9,9a-β-Octahydro-3,5,5,9-β-tetramethyl-1H-benzocyclohepten-9-ol; Allo-Himachalol
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- Other data available:
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Normal alkane RI, non-polar column, custom temperature program
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 | CBP-5 | HP-5 | HP-5 | HP-5 | HP-5 |
| Column length (m) | 30. | 25. | 25. | 25. | 25. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.17 | 0.17 | 0.17 | 0.17 |
| Program | 60 0C 3 0C/min -> 240 0C 10 0C/min -> 280 0C (10 min) | 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) | not specified | 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min) | not specified |
| I | 1662. | 1656. | 1662. | 1652. | 1653. |
| Reference | de Morais, Oliveira, et al., 2012 | Custer, 2009 | Custer, 2009 | Custer, 2009 | Custer, 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | CP Sil 8 CB | CP Sil 8 CB | CP Sil 8 CB | CP Sil 5 CB |
| Column length (m) | 50. | 50. | 50. | 25. |
| Carrier gas | He | He | He | N2 |
| Substrate | ||||
| Column diameter (mm) | 0.32 | 0.32 | 0.32 | |
| Phase thickness (μm) | 0.39 | |||
| Program | 60C(2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min) | 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (2min) | 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C(2min) | not specified |
| I | 1647. | 1647. | 1647. | 1648. |
| Reference | Judpentienë and Mockutë, 2004 | Mockute and Judzentiene, 2002 | Mockute and Judzentiene, 2002, 2 | Weyerstahl, Marschall, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
de Morais, Oliveira, et al., 2012
de Morais, S.R.; Oliveira, T.L.S.; BAra, M.T.F.; da Conceicao, E.C.; Rezende, M.H.; Ferri, P.H.; de Paula, J.R.,
Chemical constituents of essential oil from Lippia sidoides Cham. (Verbenaceae) leaves cultivated in Hidrolandia, Goias, Brasil,
Int. J. Anal. Chem., 2012, 2012, 1-4, https://doi.org/10.1155/2012/363919
. [all data]
Custer, 2009
Custer, Y.,
GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]
Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D.,
Chemical composition of essential oils produced by pink flower inflorescences of wild Achillea millefolium L.,
Chemija, 2004, 15, 28-32. [all data]
Mockute and Judzentiene, 2002
Mockute, D.; Judzentiene, A.,
Chemotypes of the essential oils of Achillea millefolium L. ssp. millefolium growing wild in Eastern Lithuania,
Chemija, 2002, 13, 3, 168-173. [all data]
Mockute and Judzentiene, 2002, 2
Mockute, D.; Judzentiene, A.,
Chemical composition of the essential oils of Achillea millefolium L. ssp. millefolium (yarrow) growing wild in Vilnius,
Chemija, 2002, 13, 2, 97-102. [all data]
Weyerstahl, Marschall, et al., 1998
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Subba, G.C.,
Constituents of the essential oil from the rhizomes of Hedychium gardnerianum Roscoe,
Flavour Fragr. J., 1998, 13, 6, 377-388, https://doi.org/10.1002/(SICI)1099-1026(199811/12)13:6<377::AID-FFJ755>3.0.CO;2-F
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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