2,6-Octadien-1-ol, 3,7-dimethyl-, (Z)-
- Formula: C10H18O
- Molecular weight: 154.2493
- IUPAC Standard InChI: InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
- IUPAC Standard InChIKey: GLZPCOQZEFWAFX-YFHOEESVSA-N
- CAS Registry Number: 106-25-2
- 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: cis-Geraniol; cis-3,7-Dimethyl-2,6-octadien-1-ol; Nerol; Neryl alcohol; 2-cis-3,7-Dimethyl-2,6-octadien-1-ol; (Z)-Geraniol; cis-2,6-Dimethyl-2,6-octadien-8-ol; (Z)-3,7-Dimethyl-2,6-octadien-1-ol; (Z)-Nerol; 2,6-Octadien-1-ol, 3,7-dimethyl-, (2Z)-; 3,7-Dimethyl-2,6-octadien-1-ol, cis-; 2,6-Dimethyl-2,6-octadien-8-ol; 3,7-Dimethyl-2,6-octadien-1-ol; Vernol; (2Z)-3,7-Dimethyl-2,6-octadien-1-ol; Nerol (cis-geraniol)
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Kovats' 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 | DB-1 | HP-5 | BP-1 | BP-1 | CP Sil 8 CB |
| Column length (m) | 30. | 25. | 25. | 30. | 30. |
| Carrier gas | He | N2 | N2 | H2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.2 | 0.32 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.33 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 60. | 60. | 50. |
| Tend (C) | 280. | 240. | 220. | 220. | 220. |
| Heat rate (K/min) | 5. | 3. | 5. | 5. | 3. |
| Initial hold (min) | 3. | 2. | |||
| Final hold (min) | 13. | 3. | |||
| I | 1210. | 1232. | 1209. | 1213. | 1231. |
| Reference | Allegrone, Belliardo, et al., 2006 | Oliveira, Leitao, et al., 2006 | Raina, Verma, et al., 2006 | Srivastava, Srivastava, et al., 2006 | Tayoub, Schwob, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | CP Sil 8 CB | SPB-5 | CP Sil 5 CB | DB-5 | HP-5 |
| Column length (m) | 30. | 60. | 25. | 30. | 30. |
| Carrier gas | H2 | He | H2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 1. | 0.15 | 0.25 | 0.25 |
| Tstart (C) | 50. | 60. | 50. | 50. | 60. |
| Tend (C) | 220. | 200. | 230. | 250. | 200. |
| Heat rate (K/min) | 3. | 4. | 3. | 0.5 | 4. |
| Initial hold (min) | 2. | 5. | 1. | ||
| Final hold (min) | 30. | 10. | 15. | ||
| I | 1231. | 1234. | 1212. | 1228. | 1233. |
| Reference | Tayoub, Schwob, et al., 2006, 2 | Gauvin, Lecomte, et al., 2004 | Ogunwande, Olawore, et al., 2004 | Viña and Murillo, 2003 | Juliani and Simon, 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BP-1 | Cross-Linked Methylsilicone | BP-1 | HP-1 | BP-1 |
| Column length (m) | 60. | 50. | 25. | 50. | 25. |
| Carrier gas | N2 | He | N2 | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.2 | 0.55 | 0.25 | 0.55 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 100. | 60. | 100. | 60. |
| Tend (C) | 220. | 280. | 220. | 250. | 220. |
| Heat rate (K/min) | 5. | 4. | 5. | 5. | 5. |
| Initial hold (min) | 7. | ||||
| Final hold (min) | 15. | 15. | |||
| I | 1211. | 1206. | 1220. | 1230. | 1214. |
| Reference | Raina, Lal, et al., 2002 | Rajeswara Rao, Kaul, et al., 2002 | Jain, Aggarwal, et al., 2001 | Raina, Srivastava, et al., 2001 | Raina, Srivastava, et al., 2001, 2 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | BP-1 | BP-1 | BP-1 | Methyl Silicone |
| Column length (m) | 30. | 50. | 50. | 25. | 25. |
| Carrier gas | He | N2 | N2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.5 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 240. | 260. | 260. | 220. | 220. |
| Heat rate (K/min) | 3. | 2. | 2. | 5. | 5. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1228. | 1214. | 1218. | 1215. | 1213. |
| Reference | da Silva, Andrade, et al., 1999 | Vera and Chane-Ming, 1999 | Vera and Chane-Ming, 1999 | Kulkarni, Mallavarapu, et al., 1998 | Mallavarapu, Rao, et al., 1998 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SE-30 | HP-1 | DB-1 | DB-1 | OV-101 |
| Column length (m) | 25. | 15. | 60. | 60. | 70. |
| Carrier gas | N2 | He | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.32 | 0.32 | 0.32 | 0.28 |
| Phase thickness (μm) | 0.25 | 0.25 | |||
| Tstart (C) | 60. | 40. | 30. | 30. | 80. |
| Tend (C) | 180. | 240. | 210. | 210. | 200. |
| Heat rate (K/min) | 3. | 6. | 2. | 2. | 2. |
| Initial hold (min) | 10. | 4. | 4. | ||
| Final hold (min) | 1. | 10. | |||
| I | 1210. | 1218. | 1208. | 1209. | 1219. |
| Reference | Jantan, Ahmad, et al., 1996 | Raharivelomanana, Cambon, et al., 1993 | Takeoka, Flath, et al., 1990 | Takeoka, Flath, et al., 1990 | Yamaguchi and Shibamoto, 1981 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | OV-101 | OV-101 | OV-101 |
| Column length (m) | 70. | 70. | 70. |
| Carrier gas | N2 | N2 | N2 |
| Substrate | |||
| Column diameter (mm) | 0.28 | 0.28 | 0.28 |
| Phase thickness (μm) | |||
| Tstart (C) | 80. | 80. | 80. |
| Tend (C) | 200. | 200. | 200. |
| Heat rate (K/min) | 2. | 2. | 2. |
| Initial hold (min) | |||
| Final hold (min) | |||
| I | 1222. | 1218. | 1220. |
| Reference | Yamaguchi and Shibamoto, 1981 | Yamaguchi and Shibamoto, 1979 | Yamaguchi and Shibamoto, 1979 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Allegrone, Belliardo, et al., 2006
Allegrone, G.; Belliardo, F.; Cabella, P.,
Comparison of volatile concentrations in hand-squeezed juices of four different lemon varieties,
J. Agric. Food Chem., 2006, 54, 5, 1844-1848, https://doi.org/10.1021/jf051206s
. [all data]
Oliveira, Leitao, et al., 2006
Oliveira, D.R.; Leitao, G.G.; Santos, S.S.; Bizzo, H.R.; Lopes, D.; Alviano, C.S.; Alviano, D.S.; Leitao, S.G.,
Ethnopharmacological study of two Lippia species from Oriximina, Brazil,
J. Ethnopharmacol., 2006, 108, 1, 103-108, https://doi.org/10.1016/j.jep.2006.04.018
. [all data]
Raina, Verma, et al., 2006
Raina, V.K.; Verma, S.C.; Dhawan, S.; Khan, M.; Ramesh, S.; Singh, S.C.; Yadav, A.; Srivastava, S.K.,
Essential oil composition of Murraya exotica from the plains of northern India,
Flavour Fragr. J., 2006, 21, 1, 140-142, https://doi.org/10.1002/ffj.1547
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Srivastava, Srivastava, et al., 2006
Srivastava, A.K.; Srivastava, S.K.; Syamsundar, K.V.,
Volatile composition of Curcuma angustifolia Roxb. rhizome from central and southern India,
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Tayoub, Schwob, et al., 2006
Tayoub, G.; Schwob, I.; Bessiere, J.-M.; Masotti, V.; Rabier, J.; Ruzzier, M.; Viano, J.,
Composition of volatile oils of Styrax (Styrax officinalis L.) leaves at different phenological stages,
Biochem. Syst. Ecol., 2006, 34, 9, 705-709, https://doi.org/10.1016/j.bse.2006.05.008
. [all data]
Tayoub, Schwob, et al., 2006, 2
Tayoub, G.; Schwob, I.; Bessière, J.-M.; Rabier, J.; Masotti, V.; J.; M.; Girard, G.; Viano, J.,
Essential oil composition of leaf, flower and stem of Styrax (Styrax officinalis L.) from south-eastern France,
Flavour Fragr. J., 2006, 21, 5, 809-812, https://doi.org/10.1002/ffj.1731
. [all data]
Gauvin, Lecomte, et al., 2004
Gauvin, A.; Lecomte, H.; Smadja, J.,
Comparative investigations of the essential oils of two scented geranium (Pelargonium spp.) cultivars grown on Reunion Island,
Flavour Fragr. J., 2004, 19, 5, 455-460, https://doi.org/10.1002/ffj.1354
. [all data]
Ogunwande, Olawore, et al., 2004
Ogunwande, I.A.; Olawore, N.O.; Adeleke, K.A.; Ekundayo, O.; König, W.A.,
Rare terpenoid esters from Hyparrhenia rufa (Nees) Stapf. growing wild in Nigeria,
Flavour Fragr. J., 2004, 19, 3, 239-243, https://doi.org/10.1002/ffj.1295
. [all data]
Viña and Murillo, 2003
Viña, A.; Murillo, E.,
Essential oil composition from twelve varieties of basil (Ocimum spp) grown in Columbia,
J. Braz. Chem. Soc., 2003, 14, 5, 744-749, https://doi.org/10.1590/S0103-50532003000500008
. [all data]
Juliani and Simon, 2002
Juliani, H.R.; Simon, J.E.,
Antioxidant acitivity of basil
in Trends in new crops and new uses, Janick,J.; Whipkey,A., ed(s)., ASHA Press, Alexandria, Va, 2002, 575-579. [all data]
Raina, Lal, et al., 2002
Raina, V.K.; Lal, R.K.; Tripathi, S.; Khan, M.; Syamasundar, K.V.; Srivastava, S.K.,
Erratum. Essential oil composition of genetically diverse stocks of Murraya koenigii from India,
Flavour Fragr. J., 2002, 17, 5, 404, https://doi.org/10.1002/ffj.1139
. [all data]
Rajeswara Rao, Kaul, et al., 2002
Rajeswara Rao, B.R.; Kaul, P.N.; Syamasundar, K.V.; Ramesh, S.,
Water soluble fractions of rose scented geranium (Pelargonium species) essential oil,
Bioresour. Technol., 2002, 84, 3, 243-246, https://doi.org/10.1016/S0960-8524(02)00057-3
. [all data]
Jain, Aggarwal, et al., 2001
Jain, N.; Aggarwal, K.K.; Syamasundar, K.V.; Srivastava, S.K.; Kumar, S.,
Essential oil composition of geranium (Pelargonium sp.) from the plains of Northern India,
Flavour Fragr. J., 2001, 16, 1, 44-46, https://doi.org/10.1002/1099-1026(200101/02)16:1<44::AID-FFJ943>3.0.CO;2-X
. [all data]
Raina, Srivastava, et al., 2001
Raina, V.K.; Srivastava, S.K.; Aggarwal, K.K.; Syamasundar, K.V.; Kumar, S.,
Essential oil composition of Syzygium aromaticum leaf from Little Andaman, India,
Flavour Fragr. J., 2001, 16, 5, 334-336, https://doi.org/10.1002/ffj.1005
. [all data]
Raina, Srivastava, et al., 2001, 2
Raina, V.K.; Srivastava, S.K.; Aggarwal, K.K.; Ramesh, S.; Kumar, S.,
Essential oil composition of Cinnamomum zeylanicum Blume leaves from Little Andaman, India,
Flavour Fragr. J., 2001, 16, 5, 374-376, https://doi.org/10.1002/ffj.1016
. [all data]
da Silva, Andrade, et al., 1999
da Silva, M.H.L.; Andrade, E.H.A.; Zoghbi, M.G.B.; Luz, A.I.R.; da Silva, J.D.; Maia, J.G.S.,
The essential oils of Lantana camara L. occurring in North Brazil,
Flavour Fragr. J., 1999, 14, 4, 208-210, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<208::AID-FFJ811>3.0.CO;2-F
. [all data]
Vera and Chane-Ming, 1999
Vera, R.R.; Chane-Ming, J.,
Chemical composition of the essential oil of marjoram (Origanum majorana L.) from Reunion Island,
Food Chem., 1999, 66, 2, 143-145, https://doi.org/10.1016/S0308-8146(98)00018-1
. [all data]
Kulkarni, Mallavarapu, et al., 1998
Kulkarni, R.N.; Mallavarapu, G.R.; Baskaran, K.; Ramesch, S.; Kumar, S.,
Composition of the essential oils of two isomenthone-rich variants of geranium (Pelargonium sp.),
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Mallavarapu, Rao, et al., 1998
Mallavarapu, G.R.; Rao, B.R.R.; Kaul, P.N.; Ramesh, S.; Bhattacharya, A.K.,
Volatile constituents of the essential oils of the seeds and the herb of palmarosa (Cymbopogon martinii (Roxb.) Wats. var. motia Burk.),
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Jantan, Ahmad, et al., 1996
Jantan, I.; Ahmad, A.S.; Ahmad, A.R.; Ali, N.A.M.; Ayop, N.,
Chemical composition of some citrus oils from Malaysia,
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Raharivelomanana, Cambon, et al., 1993
Raharivelomanana, P.; Cambon, A.; Azzaro, M.; Bianchini, J.-P.; Claude-Lafontaine, A.; George, G.,
Volatile Constituents of Neocallitropsis pancheri (Carriere) de Laubenfels Heartwood Extracts (Cupressaceae),
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Takeoka, Flath, et al., 1990
Takeoka, G.R.; Flath, R.A.; Mon, T.R.; Teranishi, R.; Guentert, M.,
Volatile Constituents of Apricot (Prunus armeniaca),
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Yamaguchi and Shibamoto, 1981
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita),
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Yamaguchi and Shibamoto, 1979
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of Castanopsis flower,
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. [all data]
Notes
Go To: Top, Kovats' 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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