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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Normal alkane RI, non-polar column, custom temperature program
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 | TR-5 MS | 5 % Phenyl methyl siloxane | DB-5 MS | DB-5 MS | HP-1 |
| Column length (m) | 15. | 30. | 30. | 30. | 50. |
| Carrier gas | Helium | Helium | Helium | Helium | 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 |
| Program | 35 0C (3 min) 2 0C/min -> 60 0C (3 min) 2 0C/min -> 80 0C (3 min) 4 0C/min -> 120 0C (3 min) 5 0C/min -> 150 0C (3 min) 15 0C/min -> 240 0C (10 min) | 50 0C (2 min) 10 0C/min -> 150 0C 15 0C/min -> 300 0C (10 min) | 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min) | 50 0C (2.8 min) 5.5 0C/min -> 140 0C (1 min) 4.5 oC/min -> 220 0C -> 225 0C (2 min) 3.4 0C/min -> 265 0C (5 min) | 40C(2min) => 2C/min => 200C => 15C/min => 250C (30min) |
| I | 1556. | 1568. | 1514. | 1558. | 1541. |
| Reference | Kurashov, Mitrukova, et al., 2014 | Huang, Qin, et al., 2009 | Zhu, Li, et al., 2008 | Zhu, Li, et al., 2008 | Barra, Baldovini, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | SPB-1 | HP-5 | HP-5 | HP-5MS | SPB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | |
| Carrier gas | Helium | He | He | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.10 | ||
| Program | 35 0C (2 min) 1 0C/min -> 90 0C 3 0C/min -> 220 0C | 40 0C (2 min) 110 0C (2 min) 3 0C/min -> 170 0C (2 min) 4 0C/min -> 220 0C (2 min) 10 0C/min -> 260 0C (5 min) | not specified | 40C(10min) => 3C/min => 200C => 2C/min => 220C | 40 0C (1 min) 10 0C/min -> 120 0C 0.5 0C/min -> 150 0C 20 0C/min -> 280 0C (5 min) |
| I | 1530. | 1560. | 1561. | 1564. | 1564. |
| Reference | Borse, Rao, et al., 2007 | Dou, Li, et al., 2007 | Liolios, Laouer, et al., 2007 | Takaku, Haber, et al., 2007 | Navickiene, Morandim, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | HP-5 MS | SE-54 | SE-54 | BPX5 |
| Column length (m) | 30. | 30. | 25. | 25. | 25. |
| Carrier gas | Helium | Helium | Helium | Helium | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C | 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C | 110 0C 2 0C/min -> 160 0C 5 0C/min -> 290 0C (5 min) | not specified | not specified |
| I | 1565. | 1565. | 1545. | 1562. | 1553. |
| Reference | Schmidt, Noletto, et al., 2006 | Schmidt, Noletto, et al., 2006 | Souza, Souza, et al., 2006 | Souza, Souza, et al., 2006 | Dickschat, Bode, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | BPX-5 | CP Sil 8 CB | OV-101 | SE-30 | DB-1 |
| Column length (m) | 30. | 50. | 30. | 60. | |
| Carrier gas | N2 | Helium | |||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | |
| Phase thickness (μm) | 0.25 | 0.20 | |||
| Program | 60C(0.2min) => 3K/min => 186C => 10C/min => 240C (5min) | not specified | not specified | not specified | not specified |
| I | 1564. | 1539. | 1551. | 1553. | 1547. |
| Reference | Judzentiene and Mockute, 2005 | Schwob, Bessière, et al., 2002 | Yang, 2001 | Prikhod'ko, Klyuev, et al., 1999 | Binder, Flath, et al., 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Kurashov, Mitrukova, et al., 2014
Kurashov, E.A.; Mitrukova, G.G.; Krylova, Yu.V.,
Variations in the component composition of essential oil of Ceratophyllum demersum (Ceratophyllaceae) during vegetation (in press),
Plant Resources (Rastitel'nye Resursy), 2014, 1, 000-000. [all data]
Huang, Qin, et al., 2009
Huang, B.; Qin, L.; Chu, Q.; Zhang, Q.; Gao, L.; Zheng, H.,
Comparison of headspace SPME with hydrodistillation and SFE for analysis of the volatile components of the roots of Valeriana officinalis var. latifolia,
Chromatographia, 2009, 69, 5/6, 489-496, https://doi.org/10.1365/s10337-008-0921-y
. [all data]
Zhu, Li, et al., 2008
Zhu, M.; Li, E.; He, H.,
Determination of volatile chemical constitutes in tea by simultaneous distillation extraction, vacuum hydrodistillation and thermal desrption,
Chromatographia, 2008, 68, 7/8, 603-610, https://doi.org/10.1365/s10337-008-0732-1
. [all data]
Barra, Baldovini, et al., 2007
Barra, A.; Baldovini, N.; Loiseau, A.-M.; Albino, L.; Lesecq, C.; Cuvelier, L.L.,
Chemical analysis of French beans (Phaseolus vulgaris L.) by headspace solid phase microextraction (HS-SPME) and simultaneous distillation/extraction (SDE),
Food Chem., 2007, 101, 3, 1279-1284, https://doi.org/10.1016/j.foodchem.2005.12.027
. [all data]
Borse, Rao, et al., 2007
Borse, B.B.; Rao, L.J.M.; Ramalaksmi, K.; Raghavan, B.,
Chemical composition of volatiles from coconut sap (neera) end effect of processing,
Food Chem., 2007, 101, 3, 877-880, https://doi.org/10.1016/j.foodchem.2006.02.026
. [all data]
Dou, Li, et al., 2007
Dou, H.-L.; Li, C.-M.; Gu, H.-F.; Hao, J.-F.,
Comparative analysis on aromatic components of green tea and fresh green tea beverage using HS-SPME/GC-MS/GC-olfactometry/RI methods,
Journal of Tea Science, 2007, 27, 1, 51-60. [all data]
Liolios, Laouer, et al., 2007
Liolios, C.; Laouer, H.; Boulaacheb, N.; Gortzi, O.; Chinou, I.,
Chemical Composition and Antimicrobial Activity of the Essential Oil of Algherian Phlomis bovei De Noe subsp. bovei,
Molecules, 2007, 12, 4, 772-781, https://doi.org/10.3390/12040772
. [all data]
Takaku, Haber, et al., 2007
Takaku, S.; Haber, W.A.; Setzer, W.N.,
Leaf essential oil composition of 10 species of Ocotea (Lauraceae) from Monteverde, Costa Rica,
Biochem. Syst. Ecol., 2007, 35, 8, 525-532, https://doi.org/10.1016/j.bse.2007.02.003
. [all data]
Navickiene, Morandim, et al., 2006
Navickiene, H.M.D.; Morandim, A.A.; Alécio, A.C.; Regasini, L.O.; Bergamo, D.C.B.; Telascrea, M.; Cavalheiro, A.J.; Lopes, M.N.; Bolzani, V.S.; Furlan, M.; Marques, M.O.M.; Young, M.C.M.; Kato, M.J.,
Composition and antifungal activity of essential oils from Piper aduncum, Piper arboreum and Piper tuberculatum,
Quim. Nova, 2006, 29, 3, 467-470, https://doi.org/10.1590/S0100-40422006000300012
. [all data]
Schmidt, Noletto, et al., 2006
Schmidt, J.M.; Noletto, J.A.; Vogler, B.; Setzer, W.N.,
Abaco Bush Medicine: Chemical composition of the essential oils of four aromatic medicinal plants from Abaco Island, Bahamas,
J. Herbs, Spices Medicinal Plants, 2006, 12, 3, 43-65, https://doi.org/10.1300/J044v12n03_04
. [all data]
Souza, Souza, et al., 2006
Souza, M.A.A.; Souza, S.R.; Veiga, V.F., Jr.; Cortez, J.K.P.C.; Leal, R. de.S.; Dantas, T.N.C.; Maciel, M.A.M.,
Composicao quimica do oleo fixo de Croton cajucara e determinacao das suas propridades fungicidas,
Braz. J. Pharmacognosy, 2006, 16, 599-610. [all data]
Dickschat, Bode, et al., 2005
Dickschat, J.S.; Bode, H.B.; Wenzel, S.C.; Muller, R.; Schulz, S.,
Biosinthesis and Identification of Volatiles Released by the Myxobacterium Stigmatella aurantiaca,
ChemBioChem, 2005, 6, 11, 2023-2033, https://doi.org/10.1002/cbic.200500174
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Judzentiene and Mockute, 2005
Judzentiene, A.; Mockute, D.,
The inflorescence and leaf essential oils of Tanacetum vulgare L. var. vulgare growing wild in Lithuania,
Biochem. Syst. Ecol., 2005, 33, 5, 487-498, https://doi.org/10.1016/j.bse.2004.11.003
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Schwob, Bessière, et al., 2002
Schwob, I.; Bessière, J.-M.; Dherbomez, M.; Viano, J.,
Composition and antimicrobial activity of the essential oil of Hypericum coris,
Fitoterapia, 2002, 73, 6, 511-513, https://doi.org/10.1016/S0367-326X(02)00171-5
. [all data]
Yang, 2001
Yang, R.,
Analysis of the volatile components in peel oil of Yuzu by gas chromatography/mass spectrometry,
Chin. J. Anal. Chem., 2001, 29, 3, 313-316. [all data]
Prikhod'ko, Klyuev, et al., 1999
Prikhod'ko, A.B.; Klyuev, N.A.; Volkovich, S.V.; Emets, T.I.; Petrenko, V.V.; Dolya, E.V.,
Component composition od the essential oil of Thymus dimorphus,
Chem. Nat. Comp., 1999, 35, 1, 46-51, https://doi.org/10.1007/BF02238208
. [all data]
Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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