1,6,10-Dodecatrien-3-ol, 3,7,11-trimethyl-
- Formula: C15H26O
- Molecular weight: 222.3663
- 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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- Information on this page:
- Other data available:
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Normal alkane RI, 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-Wax | CP-Wax 52CB | BP-20 | Carbowax | Supelcowax 10 |
Column length (m) | 30. | 60. | 30. | 60. | 30. |
Carrier gas | Helium | He | He | He | Helium |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.20 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.20 |
Tstart (C) | 40. | 40. | 70. | 40. | 70. |
Tend (C) | 230. | 220. | 220. | 180. | 220. |
Heat rate (K/min) | 3. | 3. | 4. | 5. | 3. |
Initial hold (min) | 2. | 4. | |||
Final hold (min) | 5. | 5. | 15. | ||
I | 1999. | 2034. | 2049. | 2048. | 2037. |
Reference | Zhao, Xu, et al., 2009 | Chyau, Tsai, et al., 2007 | Rawat, Gulati, et al., 2007 | Singh, Kumar, et al., 2007 | Cavaleiro, Pinto, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Stabilwax | Stabilwax | PEG-20M | DB-Wax |
Column length (m) | 60. | 30. | 30. | 30. | 30. |
Carrier gas | H2 | He | |||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.32 | 0.25 | 0.25 |
Phase thickness (μm) | 0.25 | 0.5 | 0.5 | 0.25 | |
Tstart (C) | 70. | 40. | 40. | 60. | 50. |
Tend (C) | 230. | 280. | 280. | 180. | 230. |
Heat rate (K/min) | 2. | 6. | 6. | 3. | 3. |
Initial hold (min) | 2. | 5. | 5. | 10. | 2. |
Final hold (min) | 20. | 5. | 5. | 30. | 20. |
I | 2039. | 2003. | 2003. | 2047. | 2043. |
Reference | Sawamura, Onishi, et al., 2006 | Jirovetz, Buchbauer, et al., 2005 | Jirovetz, Buchbauer, et al., 2005, 2 | Yao, Guo, et al., 2005 | Lin, Cai, et al., 2003 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | DB-Wax | Stabilwax | Carbowax 20M | DB-Wax | DB-Wax |
Column length (m) | 60. | 30. | 50. | 60. | 60. |
Carrier gas | N2 | H2 | He | Helium | He |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.32 | 0.22 | 0.32 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
Tstart (C) | 70. | 60. | 60. | 50. | 60. |
Tend (C) | 230. | 280. | 220. | 230. | 240. |
Heat rate (K/min) | 2. | 10. | 2. | 5. | 4. |
Initial hold (min) | 2. | 5. | 2. | ||
Final hold (min) | 20. | 5. | |||
I | 2025. | 2002. | 1990. | 2047. | 2031. |
Reference | Tu, Onishi, et al., 2002 | Jirovetz L., Buchbauer G., et al., 2001 | Vernin, Lageot, et al., 2001 | Paniandy, Chane-Ming, et al., 2000 | Ngassoum, Yonkeu, et al., 1999 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | NB-351 | Supelcowax-10 | DB-Wax | Carbowax 20M | PEG-20M |
Column length (m) | 25. | 0. | 60. | 60. | 50. |
Carrier gas | H2 | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.3 | 0.25 | 0.25 | 0.25 | 0.25 |
Phase thickness (μm) | 0.5 | 0.25 | 0.15 | ||
Tstart (C) | 70. | 40. | 50. | 60. | 60. |
Tend (C) | 250. | 240. | 180. | 180. | 180. |
Heat rate (K/min) | 5. | 3. | 2.5 | 2. | 2. |
Initial hold (min) | 2. | 5. | 4. | 4. | |
Final hold (min) | |||||
I | 2041. | 2044. | 2043. | 1991. | 2003. |
Reference | Onocha, Ekundayo, et al., 1999 | Zygadlo, Ariza-Espinar, et al., 1997 | Stashenko, Puertas, et al., 1996 | Kawakami, Ganguly, et al., 1995 | Togari, Kobayashi, et al., 1995 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | PEG-20M | Carbowax 20M | Carbowax 20M | Supelcowax-10 | DB-Wax |
Column length (m) | 50. | 50. | 50. | 60. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.32 |
Phase thickness (μm) | 0.15 | ||||
Tstart (C) | 60. | 60. | 60. | 60. | 50. |
Tend (C) | 180. | 180. | 180. | 220. | 230. |
Heat rate (K/min) | 2. | 2. | 2. | 2. | 4. |
Initial hold (min) | 4. | 4. | 4. | 1. | 0.1 |
Final hold (min) | 10. | ||||
I | 2005. | 1991. | 2005. | 2056. | 2034. |
Reference | Togari, Kobayashi, et al., 1995 | Kawakami, Kobayashi, et al., 1993 | Kawakami and Kobayashi, 1991 | Loughrin, Hamilton-Kemp, et al., 1990 | Binder, Flath, et al., 1989 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Zhao, Xu, et al., 2009
Zhao, Y.; Xu, Y.; Li, J.; Fan, W.; Jiang, W.,
Profile of volatile compounds in 11 brandies by headspace solid-phase microextraction followed by gas chromatography-mass spectrometry,
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Chyau, Tsai, et al., 2007
Chyau, C.-C.; Tsai, S.-Y.; Yang, J.-H.; Weng, C.-C.; Han, C.-M.; Shih, C.-C.; Mau, J.-L.,
The essential oil of Glossogyne tenuifolia,
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Rawat, Gulati, et al., 2007
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Characterization of volatile components of Kangra orthodox black tea by gas chromatography-mass spectrometry,
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Volatile constituents of natural Boswellia serrata oleo-gum-resin and commercial samples,
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Cavaleiro, Pinto, et al., 2006
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Antifungal activity of Juniperus essential oils agains dermatophyte, Asrgillus and Candida strains,
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Sawamura, Onishi, et al., 2006
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Characteristic odour components of bergamot (Citrus bergamia Risso) essential oil,
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Jirovetz, Buchbauer, et al., 2005
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Chemical composition and olfactory characterization of essential oils of fruits and seeds of African pear (Dacryodes edulis (G. Don) H. J. Lam) from Cameroon,
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Jirovetz, Buchbauer, et al., 2005, 2
Jirovetz, L.; Buchbauer, G.; Stoyanova, A.; Balinova, A.; Guangjiun, Z.; Xihan, M.,
Solid phase microextraction/gas chromatographic and olfactory analysis of the scent and fixative properties of the essential oil of Rosa damascena L. from China,
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Yao, Guo, et al., 2005
Yao, S.-S.; Guo, W.-F.; Lu, Y.; Jiang, Y.-X.,
Flavor Characteristics of Lapsang Souchong and Smoked Lapsang Souchong, a Special Chinese Black Tea with Pine Smoking Process,
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Lin, Cai, et al., 2003
Lin, P.; Cai, J.; Li, J.; Sang, W.; Su, Q.,
Constituents of the essential oil of Hemerocallis flava day lily,
Flavour Fragr. J., 2003, 18, 6, 539-541, https://doi.org/10.1002/ffj.1264
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Tu, Onishi, et al., 2002
Tu, N.T.M.; Onishi, Y.; Choi, H.-S.; Kondo, Y.; Bassore, S.M.; Ukeda, H.; Sawamura, M.,
Characteristic odor components of Citrus sphaerocarpa Tanaka (Kabosu) cold-pressed peel oil,
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Jirovetz L., Buchbauer G., et al., 2001
Jirovetz L.; Buchbauer G.; Shafi P.M.; Rosamma M.K.; Geissler M.,
Analysis of the composition and aroma of the essential leaf oil of Syzygium travancoricum from South India by GC-FID, GC-MS, and olfactometry. Seasonal changes of composition,
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Vernin, Lageot, et al., 2001
Vernin, G.; Lageot, C.; Gaydou, E.M.; Parkanyi, C.,
Analysis of the essential oil of Lippia graveolens HBK from El Salvador,
Flavour Fragr. J., 2001, 16, 3, 219-226, https://doi.org/10.1002/ffj.984
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Paniandy, Chane-Ming, et al., 2000
Paniandy, J.-C.; Chane-Ming, J.; Pierbattesti, J.-C.,
Chemical Composition of the Essential Oil and Headspace Solid-Phase Microextraction of the Guava Fruit (Psidium guajava L.),
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Ngassoum, Yonkeu, et al., 1999
Ngassoum, M.B.; Yonkeu, S.; Jirovetz, L.; Buchbauer, G.; Schmaus, G.; Hammerschmidt, F.-J.H.,
Chemical composition of essential oils of Lantana camara leaves and flowers from Cameroon and Madagascar,
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Onocha, Ekundayo, et al., 1999
Onocha, P.A.; Ekundayo, O.; Oyelola, O.; Laakso, I.,
Essential oils of Dacryodes edulis (G. Don) H. J. Lam (African pear),
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Zygadlo, Ariza-Espinar, et al., 1997
Zygadlo, J.A.; Ariza-Espinar, L.; Velasco-Negueruela, A.; Perez-Alonso, M.J.,
Volatile constituents of Stevia achalensis hieronymus,
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Stashenko, Puertas, et al., 1996
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Volatile secondary metabolites from Spilanthes americana obtained by simultaneous steam distillation--solvent extraction and supercritical fluid extraction,
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Kawakami, Ganguly, et al., 1995
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Aroma composition of oolong tea and black tea by brewed extraction method and characterizing compounds of Darjeeling tea aroma,
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Togari, Kobayashi, et al., 1995
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Pattern recognition applied to gas chromatographic profiles of volatile components in three tea categories,
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Kawakami, Kobayashi, et al., 1993
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Kawakami and Kobayashi, 1991
Kawakami, M.; Kobayashi, A.,
Volatitle constituents of greem mate and roasted mate,
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Loughrin, Hamilton-Kemp, et al., 1990
Loughrin, J.H.; Hamilton-Kemp, T.R.; Andersen, R.A.; Hildebrand, D.F.,
Headspace compounds from flowers of Nicotiana tabacum and related species,
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Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R.,
Volatile components of bittermelon,
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Notes
Go To: Top, Normal alkane RI, 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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