1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3
- IUPAC Standard InChIKey: FQTLCLSUCSAZDY-UHFFFAOYSA-N
- CAS Registry Number: 7212-44-4
- 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: Nerolidol; 3,7,11-Trimethyl-1,6,10-dodecatrien-3-ol; 3,7,11-Trimethyldodeca-1,6,10-trien-3-ol; 3-Hydroxy-3,7,11-trimethyl-1,6,10-dodecatriene; (.+/-.)-Nerolidol; 3,7,11-Trimethyl-1,6,10-dodecatriene-3-ol; FCI 119b; 3,7,11-trimethyl-1,6,10-dodecatrien-3-ol (nerolidol); Z,E-Nerolidol; 3,7,11-trimethyldodeca-1,6,10-trien-3-ol,mixed isomers
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- Other data available:
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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 | CP Sil 8 CB | DB-5 | DB-1 | PTE-5 | SSP-1 |
| Column length (m) | 30. | 30. | 25. | 60. | 30. |
| Carrier gas | H2 | He | He | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.32 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.39 | 0.25 | |
| Tstart (C) | 50. | 50. | 60. | 60. | 50. |
| Tend (C) | 220. | 250. | 220. | 285. | 250. |
| Heat rate (K/min) | 3. | 0.5 | 3. | 4.3 | 2. |
| Initial hold (min) | 2. | 5. | 2. | ||
| Final hold (min) | 10. | 5. | |||
| I | 1562. | 1566. | 1562. | 1570. | 1563. |
| Reference | Schwob, Bessiere, et al., 2004 | Viña and Murillo, 2003 | Mevy, Bessiere, et al., 2002 | Gudzic, Dordevic, et al., 2001 | Nagarajan, Rao, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Methyl Silicone | Methyl Silicone | DB-5 | SPB-1 | OV-101 |
| Column length (m) | 30. | 30. | 30. | 30. | 25. |
| Carrier gas | He | He | He | He | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.32 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 60. | 60. | 50. |
| Tend (C) | 225. | 250. | 240. | 250. | 200. |
| Heat rate (K/min) | 2. | 2. | 4. | 5. | 5. |
| Initial hold (min) | 2. | 2. | 2. | ||
| Final hold (min) | 5. | 5. | 5. | ||
| I | 1539. | 1539. | 1565. | 1555. | 1555. |
| Reference | Jayaprakasha, Rao, et al., 2000 | Adegoke, Rao, et al., 1998 | Zoghbi, Andrade, et al., 1998 | Jayaprakasha, Jaganmohan Rao, et al., 1997 | Menut, Molangui, et al., 1995 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-1 | BP-1 | OV-101 | OV-101 | OV-101 |
| Column length (m) | 50. | 50. | 70. | 70. | 70. |
| Carrier gas | He | H2 | N2 | N2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.20 | 0.33 | 0.28 | 0.28 | 0.28 |
| Phase thickness (μm) | |||||
| Tstart (C) | 35. | 65. | 80. | 80. | 80. |
| Tend (C) | 200. | 220. | 200. | 200. | 200. |
| Heat rate (K/min) | 3. | 5. | 2. | 2. | 2. |
| Initial hold (min) | 5. | 2. | |||
| Final hold (min) | 20. | ||||
| I | 1550. | 1552. | 1551. | 1552. | 1551. |
| Reference | Wong and Tie, 1993 | Ekundayo, Laakso, et al., 1988 | Yamaguchi and Shibamoto, 1981 | Yamaguchi and Shibamoto, 1981 | Yamaguchi and Shibamoto, 1979 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | OV-101 |
| Column length (m) | 70. |
| Carrier gas | N2 |
| Substrate | |
| Column diameter (mm) | 0.28 |
| Phase thickness (μm) | |
| Tstart (C) | 80. |
| Tend (C) | 200. |
| Heat rate (K/min) | 2. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1550. |
| Reference | Yamaguchi and Shibamoto, 1979 |
| Comment | 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.
Schwob, Bessiere, et al., 2004
Schwob, I.; Bessiere, J.-M.; Masotti, V.; Viano, J.,
Changes in essential oil composition in Saint John's wort (Hypericum perforatum L.) aerial parts during its phenological cycle,
Biochem. Syst. Ecol., 2004, 32, 8, 735-745, https://doi.org/10.1016/j.bse.2003.12.005
. [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]
Mevy, Bessiere, et al., 2002
Mevy, J.P.; Bessiere, J.-M.; Dherbomez, M.; Viano, J.,
Composition and some biological activities of the essential oils from an African pasture grass: Elionurus elegans Kunth.,
J. Agric. Food Chem., 2002, 50, 15, 4240-4243, https://doi.org/10.1021/jf0115140
. [all data]
Gudzic, Dordevic, et al., 2001
Gudzic, B.; Dordevic, S.; Palic, R.; Stojanovic, G.,
Essential oils of Hypericum olympicum L. and Hypericum perforatum L.,
Flavour Fragr. J., 2001, 16, 3, 201-203, https://doi.org/10.1002/ffj.978
. [all data]
Nagarajan, Rao, et al., 2001
Nagarajan, S.; Rao, L.J.M.; Gurudutt, K.N.,
Chemical composition of the volatiles of Hemidesmus indicus R. Br.,
Flavour Fragr. J., 2001, 16, 3, 212-214, https://doi.org/10.1002/ffj.985
. [all data]
Jayaprakasha, Rao, et al., 2000
Jayaprakasha, G.K.; Rao, L.J.M.; Sakariah, K.K.,
Chemical composition of the flower oil of Cinnamomum zeylanicum blume,
J. Agric. Food Chem., 2000, 48, 9, 4294-4295, https://doi.org/10.1021/jf991395c
. [all data]
Adegoke, Rao, et al., 1998
Adegoke, G.O.; Rao, L.J.M.; Shankaracharya, N.B.,
A comparison of the essential oils of Aframomum daniellii (Hook. f.) K. Schum. and Amomum subulatum Roxb,
Flavour Fragr. J., 1998, 13, 5, 349-352, https://doi.org/10.1002/(SICI)1099-1026(1998090)13:5<349::AID-FFJ758>3.0.CO;2-O
. [all data]
Zoghbi, Andrade, et al., 1998
Zoghbi, M.G.B.; Andrade, E.H.A.; Santos, A.S.; Silva, M.H.L.; Maia, J.G.S.,
Essential oils of Lippia alba (Mill.) N. E. Br growing wild in the Brazilian Amazon,
Flavour Fragr. J., 1998, 13, 1, 47-48, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<47::AID-FFJ690>3.0.CO;2-0
. [all data]
Jayaprakasha, Jaganmohan Rao, et al., 1997
Jayaprakasha, G.K.; Jaganmohan Rao, L.; Sakariah, K.K.,
Chemical composition of the volatile oil from the fruits of Cinnamomum zeylanicum blume,
Flavour Fragr. J., 1997, 12, 5, 331-333, https://doi.org/10.1002/(SICI)1099-1026(199709/10)12:5<331::AID-FFJ663>3.0.CO;2-X
. [all data]
Menut, Molangui, et al., 1995
Menut, C.; Molangui, T.; Lamaty, G.E.; Bessière, J.-M.; Habimana, J.-B. Menut.; Molangui, T.; Lamaty, G.E.; Bessière, J.-M.; Habimana, J.-B.,
Aromatic plants of tropical Central Africa. 23. Chemical composition of leaf essential oils of Eucalyptus goniocalyx F. Muell. and Eucalyptus patens Benth. grown in Rwanda,
J. Agric. Food Chem., 1995, 43, 5, 1267-1271, https://doi.org/10.1021/jf00053a026
. [all data]
Wong and Tie, 1993
Wong, K.C.; Tie, D.Y.,
The Essential Oil of the Leaves of Murraya koenigii Spreng.,
J. Essent. Oil Res., 1993, 5, 4, 371-374, https://doi.org/10.1080/10412905.1993.9698245
. [all data]
Ekundayo, Laakso, et al., 1988
Ekundayo, O.; Laakso, I.; Adegbola, R.-M.; Oguntimein, B.; Sofowora, A.; Hiltunen, R.,
Essential oil constituents of Ashanti pepper (Piper guineense) fruits (berries),
J. Agric. Food Chem., 1988, 36, 5, 880-882, https://doi.org/10.1021/jf00083a001
. [all data]
Yamaguchi and Shibamoto, 1981
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita),
J. Agric. Food Chem., 1981, 29, 2, 366-370, https://doi.org/10.1021/jf00104a035
. [all data]
Yamaguchi and Shibamoto, 1979
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of Castanopsis flower,
J. Agric. Food Chem., 1979, 27, 4, 847-850, https://doi.org/10.1021/jf60224a025
. [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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