Bicyclo[3.1.1]hept-3-en-2-ol, 4,6,6-trimethyl-, [1S-(1α,2β,5α)]-
- Formula: C10H16O
- Molecular weight: 152.2334
- IUPAC Standard InChI: InChI=1S/C10H16O/c1-6-4-9(11)8-5-7(6)10(8,2)3/h4,7-9,11H,5H2,1-3H3/t7?,8?,9-/m1/s1
- IUPAC Standard InChIKey: WONIGEXYPVIKFS-AMDVSUOASA-N
- CAS Registry Number: 18881-04-4
- 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: (S)-cis-Verbenol; (-)-(Z)-Verbenol; Bicyclo(3.1.1)hept-3-en-2-ol, 4,6,6-trimethyl-, (1S,2S,5S)-; (1S-(1α,2β,5α))-4,6,6-Trimethylbicyclo(3.1.1)hept-3-en-2-ol; S-(-)-cis-Verbenol; (-)-Verbenol; (-)-cis-Verbenol; cis-Verbenol
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- Other data available:
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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 | RTX-1 | BP-1 | SPB-1 | HP-5 MS | SE-54 |
| Column length (m) | 60. | 30. | 30. | 30. | |
| Carrier gas | Helium | Nitrogen | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.20 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.20 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 70. | 70. | 60. |
| Tend (C) | 230. | 220. | 220. | 290. | 260. |
| Heat rate (K/min) | 2. | 5. | 3. | 5. | 2. |
| Initial hold (min) | 10. | 5. | |||
| Final hold (min) | 5. | 30. | 15. | 10. | 999. |
| I | 1132. | 1128. | 1122. | 1153. | 1139. |
| Reference | Bendiabdellah, El Amine Dib, et al., 2012 | Mishra, Chaudhary, et al., 2010 | Neves, Rosa, et al., 2010 | Radulovic, Dordevic, et al., 2010 | Dayisoylu and Alma, 2009 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | DB-1 | DB-1 | CP-Sil 5 CB |
| Column length (m) | 60. | 60. | 25. |
| Carrier gas | Nitrogen | Nitrogen | Hydrogen |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.15 |
| Tstart (C) | 60. | 60. | 50. |
| Tend (C) | 250. | 250. | 230. |
| Heat rate (K/min) | 4. | 4. | 3. |
| Initial hold (min) | 1. | 1. | |
| Final hold (min) | 10. | 10. | |
| I | 1131. | 1131. | 1132. |
| Reference | Ghasempour, Shirinpour, et al., 2007 | Reza, Ebrahim, et al., 2007 | Olawore, Usman, et al., 2006 |
| 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.
Bendiabdellah, El Amine Dib, et al., 2012
Bendiabdellah, A.; El Amine Dib, M.; Djabou, N.; Allali, H.; Tabti, B.; Costa, J.; Myseli, A.,
Biological activities and volatile cinstituents of Daucus muricatus L. from Algeria,
Chem. Centr. J., 2012, 6, 48, 1-22. [all data]
Mishra, Chaudhary, et al., 2010
Mishra, R.K.; Chaudhary, S.; Pandey, R.; Gupta, S.; Mallavarapu, G.R.; Kumar, S.,
Analysis of linalool content in the inflorescence (flower) essential oil and leaf oil of Lippia alba cultivar Kavach,
J. Essen. Oil Res., 2010, 22, 1, 3-7, https://doi.org/10.1080/10412905.2010.9700253
. [all data]
Neves, Rosa, et al., 2010
Neves, A.; Rosa, S.; Goncalves, J.; Rufino, A.; Judas, F.; Salgueiro, L.; Lopes, M.C.; Cavaleiro, C.; Mendes, A.F.,
Screening of five essential oils for identification of potential inhibitors of IL-1-unduced Nf-kB activation and NO production in human clondrocytes: characterization of the inhibitory activity of alpha-pinene,
Plante Med., 2010, 76, 03, 303-308, https://doi.org/10.1055/s-0029-1186085
. [all data]
Radulovic, Dordevic, et al., 2010
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R.,
Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962
. [all data]
Dayisoylu and Alma, 2009
Dayisoylu, K.S.; Alma, M.H.,
Chemical analysis of essential oils from cone's rosin of Cilician fir (Abies cilicica subsp. cilicica),
Afr. J. Biotechnol., 2009, 8, 15, 3502-3505. [all data]
Ghasempour, Shirinpour, et al., 2007
Ghasempour, H.R.; Shirinpour, E.; Heidari, H.,
The constituents of essential oils of Ferulago angulata (Schlecht.) Boiss at two different habitats, Nevakoh and Shahoo, Agross mountain, Western Iran,
Iranian J. Sci. Technol., 2007, 31, A3, 309-312. [all data]
Reza, Ebrahim, et al., 2007
Reza, G.H.; Ebrahim, S.; Hossein, H.,
Analysis by gas chromatography - mass spectrometry of essential oil from seeds and aerial parts of Ferulago angulata (Schlecht.) Boiss gatheres in Nevakoh and Shahoo, Zagross mountain, west of Iran,
Pakistan J. Biol. Sci., 2007, 10, 5, 814-817, https://doi.org/10.3923/pjbs.2007.814.817
. [all data]
Olawore, Usman, et al., 2006
Olawore, N.O.; Usman, L.A.; Ogunwande, I.A.; Adeleke, K.A.,
Constituents of rhizome essential oils of two types of Cyperus articulatus L. grown in Nigeria,
J. Essent Oil Res., 2006, 18, 6, 604-606, https://doi.org/10.1080/10412905.2006.9699179
. [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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