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:
Van Den Dool and Kratz 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-5MS | ZB-5 | DB-5 | DB-5 | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 40. | 50. | 60. | 60. | 50. |
| Tend (C) | 200. | 250. | 240. | 240. | 285. |
| Heat rate (K/min) | 4. | 3. | 3. | 3. | 4.3 |
| Initial hold (min) | 1. | 2. | 2. | ||
| Final hold (min) | 10. | ||||
| I | 1565. | 1564. | 1583. | 1583. | 1571. |
| Reference | Cho, Namgung, et al., 2008 | Simoniatto, Bonani, et al., 2007 | Batista-Pereira, Fernandes, et al., 2006 | Batista-Pereira, Fernandes, et al., 2006 | Vujisic L., Vuckovic I., et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | DB-5MS | SE-30 | HP-5MS | HP-5MS |
| Column length (m) | 30. | 60. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 80. | 40. | 60. | 80. | 80. |
| Tend (C) | 300. | 200. | 280. | 290. | 290. |
| Heat rate (K/min) | 4. | 2. | 16. | 2. | 4. |
| Initial hold (min) | 3. | ||||
| Final hold (min) | 20. | 10. | |||
| I | 1565.6 | 1568. | 1545. | 1572.5 | 1567.7 |
| Reference | Zhao C.X., Li, et al., 2006 | Seo and Baek, 2005 | Tundis, Passalacqua, et al., 2005 | Zhao, Liang, et al., 2005 | Zhao, Liang, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | HP-5 | RSL-200 | SPB-5 | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | H2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.53 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 1.5 | 0.25 | |
| Tstart (C) | 80. | 60. | 40. | 100. | 50. |
| Tend (C) | 290. | 260. | 280. | 250. | 250. |
| Heat rate (K/min) | 6. | 3. | 6. | 5. | 3. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 5. | ||||
| I | 1568.9 | 1562. | 1568. | 1574. | 1565. |
| Reference | Zhao, Liang, et al., 2005 | Javidnia, Miri, et al., 2004 | Ngassoum, Ousmaila, et al., 2004 | Rodríguez-Burruezo, Kollmannsberger, et al., 2004 | Salido, Valenzuela, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5MS | DB-5MS | BP-1 | OV-1 | HP-5 |
| Column length (m) | 30. | 30. | 50. | 25. | 30. |
| Carrier gas | He | He | He | H2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.22 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.3 | 0.25 |
| Tstart (C) | 40. | 40. | 60. | 50. | 60. |
| Tend (C) | 200. | 200. | 230. | 200. | 280. |
| Heat rate (K/min) | 4. | 4. | 2. | 3. | 3. |
| Initial hold (min) | 5. | 5. | 1. | ||
| Final hold (min) | 20. | 20. | 35. | 20. | |
| I | 1573. | 1562. | 1547. | 1538. | 1564. |
| Reference | Yu, Kim, et al., 2004 | Zheng, Kim, et al., 2004 | Bianchini, Tomi, et al., 2003 | Bicchi, Rubiolo, et al., 2003 | Ngassapa, Runyoro, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5MS | HP-5 | DB-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 60. | 30. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.20 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 50. | 60. | 40. | 40. |
| Tend (C) | 280. | 250. | 180. | 290. | 200. |
| Heat rate (K/min) | 3. | 3. | 4. | 4. | 2. |
| Initial hold (min) | 5. | 8. | 2. | 5. | |
| Final hold (min) | 2. | 5. | 20. | ||
| I | 1562. | 1565. | 1564. | 1552. | 1561. |
| Reference | Aligiannis, Kalpoutzakis, et al., 2001 | Salido, Altarejos, et al., 2001 | Alonzo, Bosco, et al., 2000 | Bartley and Jacobs, 2000 | Kim, Thuy, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5 | OV-101 | DB-5 | HP-5 |
| Column length (m) | 30. | 30. | 25. | 30. | 30. |
| Carrier gas | He | He | N2 | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 40. | 50. | 50. | 70. | 50. |
| Tend (C) | 200. | 280. | 200. | 230. | 280. |
| Heat rate (K/min) | 2. | 4. | 5. | 2. | 4. |
| Initial hold (min) | 5. | 5. | 5. | ||
| Final hold (min) | 20. | ||||
| I | 1564. | 1560. | 1554. | 1533. | 1561. |
| Reference | Kim, Thuy, et al., 2000 | Lazari, Skaltsa, et al., 2000 | Menut, Bessiere, et al., 2000 | Song, Sawamura, et al., 2000 | Lazari, Skaltsa, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-1 | DB-1 | DB-5 | OV-101 |
| Column length (m) | 60. | 30. | 60. | 30. | 50. |
| Carrier gas | He | He | He | N2 | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 50. | 50. | 50. | 50. | 80. |
| Tend (C) | 220. | 220. | 250. | 250. | 200. |
| Heat rate (K/min) | 4. | 3. | 3.5 | 4. | 2. |
| Initial hold (min) | 3. | 5. | |||
| Final hold (min) | |||||
| I | 1575. | 1541. | 1566. | 1562. | 1548. |
| Reference | Mirza and Sefidkon, 1999 | Muselli, Hoi, et al., 1999 | Stashenko, Prada, et al., 1996 | Gómez, Ledbetter, et al., 1993 | Yang, Sugisawa, et al., 1992 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | OV-101 | RSL-150 | OV-101 | CP Sil 5 CB |
| Column length (m) | 50. | 30. | 50. | 25. |
| Carrier gas | N2 | He | H2 | N2 |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.53 | 0.32 | 0.22 |
| Phase thickness (μm) | 1.2 | |||
| Tstart (C) | 80. | 30. | 50. | 70. |
| Tend (C) | 200. | 220. | 200. | 295. |
| Heat rate (K/min) | 2. | 3. | 2. | 4. |
| Initial hold (min) | ||||
| Final hold (min) | ||||
| I | 1551. | 1545. | 1546. | 1544. |
| Reference | Yang, Sugisawa, et al., 1992 | Sagrero-Nieves, de Pooter, et al., 1989 | Pieribattesti, Smadja, et al., 1988 | Montanarella, Bos, et al., 1986 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Cho, Namgung, et al., 2008
Cho, I.H.; Namgung, H.-J.; Choi, H.-K.; Kim, Y.-S.,
Volatiles and key odorants in the pileus and stipe of pine-mushroom (Tricholoma matsutake Sing.),
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Simoniatto, Bonani, et al., 2007
Simoniatto, E.; Bonani, V.F.L.; Morel, A.F.; Poppi, N.R.; Raposo, J.L., Jr.; Stuker, C.Z.; Peruzzo, G.M.; Peres, M.T.L.P.; Hess, S.C.,
Chemical composition and evaluation of antibacterial and antioxidant activities of the essential oil of Croton urucurana Baillon (Euphorbiaceae) stem bark,
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Batista-Pereira, Fernandes, et al., 2006
Batista-Pereira, L.G.; Fernandes, J.B.; Correa, A.G.; da Silva, M.F.G.F.; Vieira, P.C.,
Electrophysiological responses of eucalyptus brown looper Thyrinteina arnobia to essential oils of seven Eucalyptus species,
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Vujisic L., Vuckovic I., et al., 2006
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Comparative examination of the essential oils of Anthemis ruthenica and A-arvensis wild-growing in Serbia,
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Zhao C.X., Li, et al., 2006
Zhao C.X.; Li, X.N.; Liang Y.Z.; Fang H.Z.; Huang L.F.; Guo F.Q.,
Comparative analysis of chemical components of essential oils from different samples of Rhododendron with the help of chemometrics methods,
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Seo and Baek, 2005
Seo, W.H.; Baek, H.H.,
Identification of characteristic aroma-active compounds from water dropword (Oenanthe javanica DC.),
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Tundis, Passalacqua, et al., 2005
Tundis, R.; Passalacqua, N.G.; Peruzzi, L.; Statti, G.A.; Bonesi, M.; Loizzo, M.R.; Conforti, F.; Cesca, G.; Menichini, F.,
Comparative chemical variability of the non-polar extracts from Senecio cineraria group (Asteraceae),
Biochem. Syst. Ecol., 2005, 33, 10, 1071-1076, https://doi.org/10.1016/j.bse.2005.02.009
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Zhao, Liang, et al., 2005
Zhao, C.-X.; Liang, Y.-Z.; Fang, H.-Z.; Li, X.-N.,
Temperature-programmed retention indices for gas chromatography-mass spectroscopy analysis of plant essential oils,
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Javidnia, Miri, et al., 2004
Javidnia, K.; Miri, R.; Kamalinejad, M.; Sarkarzadeh, H.; Jamalian, A.,
Chemical composition of the essential oils of Anthemis altissima L. grown in Iran,
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Ngassoum, Ousmaila, et al., 2004
Ngassoum, M.B.; Ousmaila, H.; Ngamo, L.T.; Maponmetsem, P.M.; Jirovetz, L.; Buchbauer, G.,
Aroma compounds of essential oils of two varieties of the spice plant Ocimum canum Sims from northern Cameroon,
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Rodríguez-Burruezo, Kollmannsberger, et al., 2004
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Analysis of the volatile aroma constituents of parental and hybrid clones of pepino (Solanum muricatum),
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Salido, Valenzuela, et al., 2004
Salido, S.; Valenzuela, L.R.; Altarejos, J.; Nogueras, M.; Sánchez, A.; Cano, E.,
Composition and infraspecific variability of Artemisia herba-alba from southern Spain,
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Yu, Kim, et al., 2004
Yu, E.J.; Kim, T.H.; Kim, K.H.; Lee, H.J.,
Aroma-active compounds of Pinus densiflora (red pine) needles,
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Zheng, Kim, et al., 2004
Zheng, C.H.; Kim, T.H.; Kim, K.H.; Leem, Y.H.; Lee, H.J.,
Characterization of potent aroma compounds in Chrysanthemum coronarium L. (Garland) using aroma extract dilution analysis,
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Bianchini, Tomi, et al., 2003
Bianchini, A.; Tomi, P.; Bernardini, A.F.; Morelli, I.; Flamini, G.; Cioni, P.L.; Usai, M.; Marchetti, M.,
A comparative study of volatile constituents of two Helichrysum italicum (Roth) Guss. Don Fil subspecies growing in Corsica (France), Tuscany and Sardinia (Italy),
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Bicchi, Rubiolo, et al., 2003
Bicchi, C.; Rubiolo, P.; Camargo, E.E.S.; Vilegas, W.; Gracioso, J.S.; Brito, A.R.M.S.,
Components of Turnera diffusa Willd. var. afrodisiaca (Ward) Urb. essential oil,
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Ngassapa, Runyoro, et al., 2003
Ngassapa, O.; Runyoro, D.K.B.; Harvala, E.; Chinou, I.B.,
Composition and antimicrobial activity of essential oils of two populations of Tanzanian Lippia javanica (Burm. f.) Spreng. (Verbenaceae),
Flavour Fragr. J., 2003, 18, 3, 221-224, https://doi.org/10.1002/ffj.1195
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Aligiannis, Kalpoutzakis, et al., 2001
Aligiannis, N.; Kalpoutzakis, E.; Chinou, I.B.; Mitaku, S.; Gikas, E.; Tsarbopoulos, A.,
Composition and antimicrobial activity of the essential oils of five taxa of Sideritis from Greece,
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Salido, Altarejos, et al., 2001
Salido, S.; Altarejos, J.; Nogueras, M.; Sánchez, A.,
Chemical composition of the essential oil of Artemisia herba-alba Asso ssp. valentina (Lam.) Marcl.,
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Alonzo, Bosco, et al., 2000
Alonzo, G.; Bosco, S.F.D.; Palazzolo, E.; Saiano, F.; Tusa, N.,
Citrus somatic hybrid leaf essential oil,
Flavour Fragr. J., 2000, 15, 4, 258-262, https://doi.org/10.1002/1099-1026(200007/08)15:4<258::AID-FFJ906>3.0.CO;2-F
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Bartley and Jacobs, 2000
Bartley, J.P.; Jacobs, A.L.,
Effects of drying on flavour compounds in Australian-grown ginger (Zingiber officinale),
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Kim, Thuy, et al., 2000
Kim, T.H.; Thuy, N.T.; Shin, J.H.; Baek, H.H.; Lee, H.J.,
Aroma-active compounds of miniature beefsteakplant (Mosla dianthera Maxim.),
J. Agric. Food Chem., 2000, 48, 7, 2877-2881, https://doi.org/10.1021/jf000219x
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Lazari, Skaltsa, et al., 2000
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T.,
Volatile constituents of Centaurea pelia DC., C. thessala Hausskn. subsp. drakiensis (Freyn Sint.) Georg. and C. zuccariniana DC. from Greece,
Flavour Fragr. J., 2000, 15, 1, 7-11, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<7::AID-FFJ860>3.0.CO;2-3
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Menut, Bessiere, et al., 2000
Menut, C.; Bessiere, J.M.; Ntalani, H.; Verin, P.; Henriques, A.T.; Limberger, R.,
Two chromene derivatives from Calyptranthes tricona,
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Song, Sawamura, et al., 2000
Song, H.S.; Sawamura, M.; Ito, T.; Ido, A.; Ukeda, H.,
Quantitative determination and characteristic flavour of daidai (Citrus aurantium L. var. cyathifera Y. Tanaka) peel oil,
Flavour Fragr. J., 2000, 15, 5, 323-328, https://doi.org/10.1002/1099-1026(200009/10)15:5<323::AID-FFJ918>3.0.CO;2-J
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Lazari, Skaltsa, et al., 1999
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T.,
Essential oils of Marrubium velutinum Sm. and Marrubium peregrinum L., growing wild in Greece,
Flavour Fragr. J., 1999, 14, 5, 290-292, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<290::AID-FFJ828>3.0.CO;2-4
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Mirza and Sefidkon, 1999
Mirza, M.; Sefidkon, F.,
Essential oil composition of two Salvia species from Iran, Salvia nemorosa L. and Salvia reuterana Boiss.,
Flavour Fragr. J., 1999, 14, 4, 230-232, https://doi.org/10.1002/(SICI)1099-1026(199907/08)14:4<230::AID-FFJ816>3.0.CO;2-L
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Muselli, Hoi, et al., 1999
Muselli, A.; Hoi, T.M.; Cu, L.D.; Moi, L.D.; Bessière, J.-M.; Bighelli, A.; Casanova, J.,
Composition of the essential oil of Acanthopanax trifoliatus (L.) Merr. (Araliacaea) from Vietnam,
Flavour Fragr. J., 1999, 14, 1, 41-44, https://doi.org/10.1002/(SICI)1099-1026(199901/02)14:1<41::AID-FFJ781>3.0.CO;2-B
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Stashenko, Prada, et al., 1996
Stashenko, E.E.; Prada, N.Q.; Martínez, J.R.,
HRGC/FID/NP and HRGC/MSD study of Colombian Ylang-Ylang (Cananga odorata) oils obtained by different extraction techniques,
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Gómez, Ledbetter, et al., 1993
Gómez, E.; Ledbetter, C.A.; Hartsell, P.L.,
Volatile compounds in apricot, plum, and their interspecific hybrids,
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Yang, Sugisawa, et al., 1992
Yang, R.; Sugisawa, H.; Nakatani, H.; Tamura, H.; Takagi, N.,
Comparison of odor quality in peel oils of acid citrus,
Nippon Shokuhin Kogyo Gakkaishi, 1992, 39, 1, 16-24, https://doi.org/10.3136/nskkk1962.39.16
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Sagrero-Nieves, de Pooter, et al., 1989
Sagrero-Nieves, L.; de Pooter, H.L.; Van Wassenhove, F.A.,
Major Volatile Constituents from the Fruit of Mammee Apple (Mammea americana L.),
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Pieribattesti, Smadja, et al., 1988
Pieribattesti, J.C.; Smadja, J.; Mondon, J.M.,
Composition of the essential oil of cardamom (Elettaria cardamomum maton)
in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 697-706. [all data]
Montanarella, Bos, et al., 1986
Montanarella, L.; Bos, R.; Fischer, F.C.,
The Essential Oil in Lamina and Petiole of Heracleum dissectum Leaves,
Planta Medica, 1986, 52, 04, 332-334, https://doi.org/10.1055/s-2007-969171
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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