4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (R)-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChIKey: CZVXBFUKBZRMKR-SNVBAGLBSA-N
- CAS Registry Number: 498-16-8
- 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: 4-Hexen-1-ol, 2-isopropenyl-5-methyl-, (-)-; (R)-5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-ol; (-)-Lavandulol; Lavandulol; (R)-Lavandulol; 4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (2R)-
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Van Den Dool and Kratz 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-101 | SPB-1 | DB-5 | RTX-1 | DB-5 |
Column length (m) | 25. | 30. | 30. | 60. | 30. |
Carrier gas | He | He | He | He | N2 |
Substrate | |||||
Column diameter (mm) | 0.2 | 0.25 | 0.2 | 0.22 | 0.25 |
Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 70. | 50. | 50. | 60. | 60. |
Tend (C) | 200. | 250. | 250. | 230. | 240. |
Heat rate (K/min) | 3. | 5. | 5. | 2. | 3. |
Initial hold (min) | 2. | 3. | 3. | 3. | |
Final hold (min) | 15. | 15. | 15. | 45. | 3. |
I | 1157. | 1167. | 1170. | 1148. | 1171. |
Reference | Politeo, Jukic, et al., 2007 | Blagojevic, Radulovic, et al., 2006 | Blagojevic, Radulovic, et al., 2006 | Cavalli, Tomi, et al., 2006 | Dob, Dahmane, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-5MS | RTX-1 | BP-1 | HP-5MS | DB-1 |
Column length (m) | 30. | 60. | 50. | 30. | 50. |
Carrier gas | He | He | He | He | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.22 | 0.22 | 0.25 | 0.22 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 60. | 60. | 60. | 50. | 60. |
Tend (C) | 280. | 230. | 230. | 250. | 220. |
Heat rate (K/min) | 4. | 2. | 2. | 3. | 2. |
Initial hold (min) | 5. | ||||
Final hold (min) | 35. | 35. | 20. | ||
I | 1169. | 1148. | 1149. | 1170. | 1150. |
Reference | Saroglou, Dorizas, et al., 2006 | Paolini, Costa, et al., 2005 | Vellutini, Baldovini, et al., 2005 | Salido, Valenzuela, et al., 2004 | Pintore, Usai, et al., 2002 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | RTX-5 | RTX-5 | HP-5 | HP-5MS | HP-101 |
Column length (m) | 30. | 30. | 30. | 30. | 50. |
Carrier gas | He | He | He | He | N2 |
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 | |
Tstart (C) | 45. | 45. | 60. | 50. | 70. |
Tend (C) | 250. | 250. | 380. | 250. | 200. |
Heat rate (K/min) | 3. | 3. | 3. | 3. | 3. |
Initial hold (min) | 6. | 6. | |||
Final hold (min) | |||||
I | 1166. | 1175. | 1165. | 1170. | 1169. |
Reference | Shellie, Mondello, et al., 2002 | Shellie, Mondello, et al., 2002 | Couladis, Tsortanidou, et al., 2001 | Salido, Altarejos, et al., 2001 | Chung, Eiserich, et al., 1993 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Packed | Capillary |
---|---|---|
Active phase | OV-101 | OV-101 |
Column length (m) | 2. | |
Carrier gas | Ar | |
Substrate | W-AW-DMCS | |
Column diameter (mm) | ||
Phase thickness (μm) | ||
Tstart (C) | 100. | 100. |
Tend (C) | ||
Heat rate (K/min) | 2. | 2. |
Initial hold (min) | ||
Final hold (min) | ||
I | 1153. | 1153. |
Reference | Szabolcs, Benecke, et al., 1985 | Benecke, Thieme, et al., 1982 |
Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Politeo, Jukic, et al., 2007
Politeo, O.; Jukic, M.; Milos, M.,
Chemical composition and antioxidant capacity of free volatile aglycones from basil (Ocimum basilicum L.) compared with its essential oil,
Food Chem., 2007, 101, 1, 379-385, https://doi.org/10.1016/j.foodchem.2006.01.045
. [all data]
Blagojevic, Radulovic, et al., 2006
Blagojevic, P.; Radulovic, N.; Palic, R.; Stojanovic, G.,
Chemical composition of the essential oils of Serbian wild-growing Srtemisia absinthium and Artemisia vulgaris,
J. Agric. Food Chem., 2006, 54, 13, 4780-4789, https://doi.org/10.1021/jf060123o
. [all data]
Cavalli, Tomi, et al., 2006
Cavalli, J.-F.; Tomi, F.; Bernardini, A.-F.; Casanova, J.,
Chemical variability of the essential oil of Helichrysum faradifani Sc. Ell. from Madagascar,
Flavour Fragr. J., 2006, 21, 1, 111-114, https://doi.org/10.1002/ffj.1531
. [all data]
Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Agli, M.; Chelghoum, C.,
Essential oil composition of Lavandula stoechas from Algeria,
Pharm. Biol., 2006, 44, 1, 60-64, https://doi.org/10.1080/13880200500496421
. [all data]
Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D.,
Analysis of the essential oil composition of eight Anthemis species from Greece,
J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087
. [all data]
Paolini, Costa, et al., 2005
Paolini, J.; Costa, J.; Bernardini, A.,
Analysis of the essential oil from aerial parts of Eupatorium cannabinum subsp. corsicum (L.) by gas chromatography with electron impact and chemical ionization mass spectrometry,
J. Chromatogr. A, 2005, 1076, 1-2, 170-178, https://doi.org/10.1016/j.chroma.2005.03.131
. [all data]
Vellutini, Baldovini, et al., 2005
Vellutini, M.; Baldovini, N.; de Rocca Serra, D. Tomi; Casanova, J.,
β-Cyclolavandulyl and β-isocyclolavandulyl esters from Peucedanum paniculatum L., an endemic species to Corsica,
Phytochemistry, 2005, 66, 16, 1956-1962, https://doi.org/10.1016/j.phytochem.2005.07.001
. [all data]
Salido, Valenzuela, et al., 2004
Salido, S.; Valenzuela, L.R.; Altarejos, J.; Nogueras, M.; Sánchez, A.; Cano, E.,
Composition and infraspecific variability of Artemisia herba-alba from southern Spain,
Biochem. Syst. Ecol., 2004, 32, 3, 265-277, https://doi.org/10.1016/j.bse.2003.09.002
. [all data]
Pintore, Usai, et al., 2002
Pintore, G.; Usai, M.; Bradesi, P.; Juliano, C.; Boatto, G.; Tomi, F.; Chessa, M.; Cerri, R.; Casanova, J.,
Chemical composition and antimicrobial activity of Rosmarinus officinalis L. oils from Sardinia and Corsica,
Flavour Fragr. J., 2002, 17, 1, 15-19, https://doi.org/10.1002/ffj.1022
. [all data]
Shellie, Mondello, et al., 2002
Shellie, R.; Mondello, L.; Marriott, P.; Dugo, G.,
Characterisation of lavender essential oils by using gas chromatography-mass spectrometry with correlation of linear retention indices and comparison with comprehensive two-dimensional gas chromatography,
J. Chromatogr. A, 2002, 970, 1-2, 225-234, https://doi.org/10.1016/S0021-9673(02)00653-2
. [all data]
Couladis, Tsortanidou, et al., 2001
Couladis, M.; Tsortanidou, V.; Francisco-Ortega, J.; Santos-Guerra, A.; Harvala, C.,
Composition of the essential oils of Argyranthemum species growing in the Canary Islands,
Flavour Fragr. J., 2001, 16, 2, 103-106, https://doi.org/10.1002/ffj.954
. [all data]
Salido, Altarejos, et al., 2001
Salido, S.; Altarejos, J.; Nogueras, M.; Sánchez, A.,
Chemical composition of the essential oil of Artemisia herba-alba Asso ssp. valentina (Lam.) Marcl.,
J. Essent. Oil Res., 2001, 13, 4, 221-224, https://doi.org/10.1080/10412905.2001.9699675
. [all data]
Chung, Eiserich, et al., 1993
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T.,
Volatile compounds isolated from edible Korean chamchwi (Aster scaber Thunb),
J. Agric. Food Chem., 1993, 41, 10, 1693-1697, https://doi.org/10.1021/jf00034a033
. [all data]
Szabolcs, Benecke, et al., 1985
Szabolcs, N.; Benecke, R.; Thieme, H.,
Természetes eredetu növényi anyagok gázkromatográfiás retenciós tulajdonságai. I. A lavandula- és lavandinolaj fo kimponenseinek retenciós indexei,
Acta Pharm. Hung., 1985, 55, 49-58. [all data]
Benecke, Thieme, et al., 1982
Benecke, R.; Thieme, H.; Nyiredy, Sz.,
Retentionsverhalten der Hauptkomponenten der Lavendel und Lavandinöle an Verschiedenen stationären Phasen in Abhängigkeit von der Säulentemperatur,
J. Chromatogr., 1982, 238, 1, 75-87, https://doi.org/10.1016/S0021-9673(00)82713-2
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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