4-Hexen-1-ol, 5-methyl-2-(1-methylethenyl)-, (R)-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h5,10-11H,3,6-7H2,1-2,4H3/t10-/m1/s1
- 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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- Information on this page:
- 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 | HP-5 MS | DB-5 | DB-5 MS | HP-1 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 50. | 60. |
| Carrier gas | Helium | Helium | Helium | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | 0.25 |
| Tstart (C) | 60. | 45. | 40. | 60. | 60. |
| Tend (C) | 250. | 250. | 250. | 250. | 250. |
| Heat rate (K/min) | 2. | 3. | 4. | 2. | 5. |
| Initial hold (min) | 8. | 3. | 2. | ||
| Final hold (min) | 15. | 5. | 2. | 40. | 10. |
| I | 1170. | 1175. | 1168. | 1149. | 1150. |
| Reference | Farhat, Ginies, et al., 2009 | Porto, Decorti, et al., 2009 | Su, Wang, et al., 2009 | Filippi, Lanfranchi, 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-1 | Methyl Silicone | DB-1 | DB-1 | SPB-1 |
| Column length (m) | 30. | 25. | 60. | 50. | 50. |
| Carrier gas | He | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.33 |
| Tstart (C) | 50. | 90. | 60. | 95. | 50. |
| Tend (C) | 265. | 220. | 250. | 240. | 220. |
| Heat rate (K/min) | 2.5 | 7. | 5. | 4. | 4. |
| Initial hold (min) | 1. | 2. | 3. | ||
| Final hold (min) | 20. | 30. | |||
| I | 1145. | 1164. | 1153. | 1153. | 1150. |
| Reference | Iranshahi, Amin, et al., 2006 | Kitchlu, Bakshi, et al., 2006 | Fakhari, Salehi, et al., 2005 | Palá-Paúl, Pérez-Alonso, et al., 2005 | Wong and Tan, 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-1 | RTX-1 | HP-5MS | HP-5MS | DB-1 |
| Column length (m) | 50. | 30. | 30. | 30. | 30. |
| Carrier gas | N2 | He | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 80. |
| Tend (C) | 220. | 300. | 280. | 275. | 250. |
| Heat rate (K/min) | 2. | 4. | 4. | 4. | 4. |
| Initial hold (min) | |||||
| Final hold (min) | 20. | ||||
| I | 1149. | 1150. | 1165. | 1165. | 1153. |
| Reference | Blanc, Muselli, et al., 2004 | Lis, Boczek, et al., 2004 | Sadeghpour, Asghari, et al., 2004 | Hajhashemi, Ghannadi, et al., 2003 | Mahalwal and Ali, 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | HP-5 | DB-1 | DB-5MS | DB-1 |
| Column length (m) | 50. | 30. | 60. | 30. | 25. |
| Carrier gas | N2 | He | He | He | Nitrogen |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.50 |
| Phase thickness (μm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 90. | 60. | 40. | 60. | 60. |
| Tend (C) | 240. | 250. | 280. | 240. | 220. |
| Heat rate (K/min) | 4. | 5. | 4. | 3. | 5. |
| Initial hold (min) | 30. | 5. | |||
| Final hold (min) | |||||
| I | 1125. | 1170. | 1146. | 1155. | 1153. |
| Reference | Velasco-Negueruela, Pérez-Alonso, et al., 2003 | Yassa, Akhani, et al., 2003 | Sefidkon, Jalili, et al., 2002 | Cherchi, Deidda, et al., 2001 | Mallavarapu, Rao, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | CP Sil 5 CB |
| Column length (m) | 25. |
| Carrier gas | N2 |
| Substrate | |
| Column diameter (mm) | |
| Phase thickness (μm) | 0.39 |
| Tstart (C) | 60. |
| Tend (C) | 220. |
| Heat rate (K/min) | 5. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1157. |
| Reference | Weyerstahl, Marschall, et al., 1999 |
| Comment | 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.
Farhat, Ginies, et al., 2009
Farhat, A.; Ginies, C.; Romdhane, M.; Chemat, F.,
Eco-friendly and cleaner process for isolation of essential oil usung microwave energy. Experimantal and theoretical study.,
J. Chromatogr. A., 2009, 1216, 26, 5077-5085, https://doi.org/10.1016/j.chroma.2009.04.084
. [all data]
Porto, Decorti, et al., 2009
Porto, C.Da.; Decorti, D.; Kikic, I.,
Flavour compounds of Lavandula angustifolia L. to use in food manufacturing: comparison of three different extraction methods,
Food Chem., 2009, 112, 4, 1072-1078, https://doi.org/10.1016/j.foodchem.2008.07.015
. [all data]
Su, Wang, et al., 2009
Su, Y.; Wang, C.; Yinlong, G.,
Analysis of volatile compounds from Mentha hapioealyx Briq. by GC-MS based on accurate mass measurements and retention indices,
Acta Chem. Sinica, 2009, 67, 6, 546-554. [all data]
Filippi, Lanfranchi, et al., 2006
Filippi, J.-J.; Lanfranchi, D.-A.; Prado, S.; Baldovini, N.; Meierhenrich, U.J.,
Composition, Enantiomeric Distribution, and Antibacterial Activity of the Essential Oil of Achillea ligustica All. from Corsica,
J. Agric. Food Chem., 2006, 54, 17, 6308-6313, https://doi.org/10.1021/jf060752y
. [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]
Iranshahi, Amin, et al., 2006
Iranshahi, M.; Amin, G.; Sourmaghi, M.S.; Shafiee, A.; Hadjiakhoondi, A.,
Sulphur-containing compounds in the essential oil of the root of Ferula persica Willd. var. persica,
Flavour Fragr. J., 2006, 21, 2, 260-261, https://doi.org/10.1002/ffj.1574
. [all data]
Kitchlu, Bakshi, et al., 2006
Kitchlu, S.; Bakshi, S.K.; Kaul, M.K.; Bhan, M.K.; Thapa, R.K.; Agarwal, S.G.,
Tanacetum gracile Hook. f T. A new source of lavandulol from Ladakh Himalaya (India),
Flavour Fragr. J., 2006, 21, 4, 690-692, https://doi.org/10.1002/ffj.1674
. [all data]
Fakhari, Salehi, et al., 2005
Fakhari, A.R.; Salehi, P.; Heydari, R.; Ebrahimi, S.N.; Haddad, P.R.,
Hydrodistillation-headspace solvent microextraction, a new method for analysis of the essential oil components of Lavandula angustifolia Mill.,
J. Chromatogr. A, 2005, 1098, 1-2, 14-18, https://doi.org/10.1016/j.chroma.2005.08.054
. [all data]
Palá-Paúl, Pérez-Alonso, et al., 2005
Palá-Paúl, J.; Pérez-Alonso, M.; Velasco-Negueruela, A.; Vadaré, J.; Villa, A.M.; Sanz, J.; Brophy, J.J.,
Analysis of the essential oil composition from the different parts of Eryngium glaciale Boiss. from Spain,
J. Chromatogr. A, 2005, 1094, 1-2, 179-182, https://doi.org/10.1016/j.chroma.2005.09.029
. [all data]
Wong and Tan, 2005
Wong, K.C.; Tan, C.H.,
Volatile constituents of the flowers of Clerodendron fragrans (Vent.) R. Br.,
Flavour Fragr. J., 2005, 20, 4, 429-430, https://doi.org/10.1002/ffj.1457
. [all data]
Blanc, Muselli, et al., 2004
Blanc, M.-C.; Muselli, A.; Bradesi, P.; Casanova, J.,
Chemical composition and variability of the essential oil of Inula graveolens from Corsica,
Flavour Fragr. J., 2004, 19, 4, 314-319, https://doi.org/10.1002/ffj.1304
. [all data]
Lis, Boczek, et al., 2004
Lis, A.; Boczek, E.; Góra, J.,
Chemical composition of the essential oils from fruits, leaves and flowers of the Amur cork tree (Phellodendron amurense Rupr.),
Flavour Fragr. J., 2004, 19, 6, 549-553, https://doi.org/10.1002/ffj.1349
. [all data]
Sadeghpour, Asghari, et al., 2004
Sadeghpour, O.; Asghari, G.; Ardekani, M.R.S.,
Composition of essential oil of Artemisia persica Boiss. from Iran,
Iran. J. Pharm. Res., 2004, 3, 65-67. [all data]
Hajhashemi, Ghannadi, et al., 2003
Hajhashemi, V.; Ghannadi, A.; Sharif, B.,
Anti-inflammatory and analgesic properties of the leaf extracts and essential oil of Lavandula angustifolia Mill.,
J. Ethnopharmacol., 2003, 89, 1, 67-71, https://doi.org/10.1016/S0378-8741(03)00234-4
. [all data]
Mahalwal and Ali, 2003
Mahalwal, V.S.; Ali, M.,
Volatile constituents of Cymbopogon nardus (Linn.) rendle,
Flavour Fragr. J., 2003, 18, 1, 73-76, https://doi.org/10.1002/ffj.1144
. [all data]
Velasco-Negueruela, Pérez-Alonso, et al., 2003
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J.,
Analysis by gas chromatography-mass spectrometry of the essential oils from the aerial parts of Rutheopsis herbanica (Bolle) Hans. Kunk., gathered in Fuerteventura (Canary Islands),
J. Chromatogr. A, 2003, 984, 1, 159-162, https://doi.org/10.1016/S0021-9673(02)01742-9
. [all data]
Yassa, Akhani, et al., 2003
Yassa, N.; Akhani, H.; Aqaahmadi, M.; Salimian, M.,
Essential oils from two endemic species of Apiaceae from Iran,
Z. Naturforsch. C:, 2003, 58, 459-463. [all data]
Sefidkon, Jalili, et al., 2002
Sefidkon, F.; Jalili, A.; Mirhaji, T.,
Essential oil composition of three Artemisia spp. from Iran,
Flavour Fragr. J., 2002, 17, 2, 150-152, https://doi.org/10.1002/ffj.1063
. [all data]
Cherchi, Deidda, et al., 2001
Cherchi, G.; Deidda, D.; de Gioannis, B.; Marongiu, B.; Pompei, R.; Porcedda, S.,
Extraction of Santolina insularis essential oil by supercritical carbon dioxide: influence of some process parameters and biological activity,
Flavour Fragr. J., 2001, 16, 1, 35-43, https://doi.org/10.1002/1099-1026(200101/02)16:1<35::AID-FFJ942>3.0.CO;2-Y
. [all data]
Mallavarapu, Rao, et al., 2000
Mallavarapu, G.R.; Rao, L.; Ramesh, S.,
Volatile constituents of the leaf and fruit oils of Murraya koenigii Spreng.,
L. Ess. Oil Res., 2000, 12, 6, 766-768, https://doi.org/10.1080/10412905.2000.9712211
. [all data]
Weyerstahl, Marschall, et al., 1999
Weyerstahl, P.; Marschall, H.; Thefeld, K.; Rustaiyan, A.,
Constituents of the essential oil of Tanacetum (syn. Chrysanthemum) fruticulosum Ledeb. from Iran,
Flavour Fragr. J., 1999, 14, 2, 112-120, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<112::AID-FFJ786>3.0.CO;2-1
. [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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