2,6,10-Dodecatrien-1-ol, 3,7,11-trimethyl-, acetate, (E,E)-
- Formula: C17H28O2
- Molecular weight: 264.4030
- IUPAC Standard InChI: InChI=1S/C17H28O2/c1-14(2)8-6-9-15(3)10-7-11-16(4)12-13-19-17(5)18/h8,10,12H,6-7,9,11,13H2,1-5H3/b15-10+,16-12+
- IUPAC Standard InChIKey: ZGIGZINMAOQWLX-NCZFFCEISA-N
- CAS Registry Number: 4128-17-0
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: all-trans-Farnesyl acetate; trans, trans-Farnesyl acetate; 2-trans-6-trans-Farnesyl acetate; (2E,6E)-Farnesyl acetate; trans,trans-Farnesol acetate; [(E,E)-3,7,11-Trimethyl-2,6,10-dodecatriene-1-yl]ester of acetic acid; (2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl acetate; (E,E)-Farnesyl acetate; (E)-Farnesyl acetate; Farnesyl acetate, (E,E)-; trans-2-trans-6-Farnesyl acetate; (E,E)-2,6-Farnesyl acetate; Farnesyl acetate
- Information on this page:
- Other data available:
- Options:
Normal alkane 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 | HP-5 MS | HP-5 MS | DB-1 | HP-5 | Col-Elite 5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | Helium | Helium | Nitrogen | 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) | 60. | 70. | 50. | 50. | 30. |
| Tend (C) | 230. | 290. | 220. | 280. | 246. |
| Heat rate (K/min) | 3. | 5. | 4. | 5. | 3. |
| Initial hold (min) | 2. | 1. | |||
| Final hold (min) | 10. | 2. | 1. | ||
| I | 1854. | 1844. | 1817. | 1844. | 1847. |
| Reference | Pripdeevech and Saansoomchai, 2013 | Radulovic, Blagojevic, et al., 2010 | Xu, Tang, et al., 2010 | Saidana, Mahjoub, et al., 2008 | Gudaityte and Venskutonis R.P., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-1 | DB-5 | HP-5 | DB-5 | SPB-1 |
| Column length (m) | 50. | 30. | 30. | 30. | 50. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.2 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.33 |
| Tstart (C) | 95. | 60. | 60. | 60. | 50. |
| Tend (C) | 240. | 260. | 250. | 280. | 220. |
| Heat rate (K/min) | 4. | 4. | 10. | 3. | 4. |
| Initial hold (min) | 4. | 2. | 3. | ||
| Final hold (min) | 10. | 30. | |||
| I | 1824. | 1850. | 1816. | 1818. | 1810. |
| Reference | Pala-Paul, Brophy, et al., 2007 | Morteza-Semnani, Saeedi, et al., 2006 | Wang, Yang, et al., 2006 | Tzakou and Constantinidis, 2005 | Wong, Lee, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | Optima-1 | DB-1 | DB-1 |
| Column length (m) | 30. | 30. | 25. | 30. | 50. |
| Carrier gas | He | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.249 | 0.20 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 80. | 70. |
| Tend (C) | 300. | 300. | 250. | 225. | 240. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. | 4. |
| Initial hold (min) | 3. | ||||
| Final hold (min) | |||||
| I | 1837. | 1836. | 1814. | 1814. | 1814. |
| Reference | Limberger, Sobral, et al., 2004 | Woerdenbag, Windono, et al., 2004 | Brun, Bessière, et al., 2001 | Palá-Paúl, Pérez-Alonso, et al., 2001 | Palá-Paúl, Pérez-Alonso, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | OV-101 | CBP-1 | DB-5 | DB-1 | DB-1 |
| Column length (m) | 50. | 30. | 30. | 60. | 60. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.22 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 1. | 0.25 | 0.25 | ||
| Tstart (C) | 100. | 60. | 40. | 50. | 50. |
| Tend (C) | 220. | 240. | 210. | 250. | 240. |
| Heat rate (K/min) | 1. | 4. | 2. | 3.5 | 3. |
| Initial hold (min) | 1. | 2. | 5. | ||
| Final hold (min) | 33. | ||||
| I | 1814. | 1844. | 1843. | 1814. | 1815. |
| Reference | Camciuc, Bessière, et al., 1998 | Lamarque, Maestri, et al., 1998 | Sohounhloue, Dangou, et al., 1996 | Stashenko, Torres, et al., 1995 | Shiota, 1991 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | DB-1 |
| Column length (m) | 60. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 50. |
| Tend (C) | 240. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | |
| Final hold (min) | |
| I | 1824. |
| Reference | Shiota, 1991 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Pripdeevech and Saansoomchai, 2013
Pripdeevech, P.; Saansoomchai, J.,
Antibacterial activity and chemical composition of essential oil and various extracts of Fagraea fragrans Roxb. flowers,
Chiang Mai J. Sci., 2013, 40, 2, 214-223. [all data]
Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R.,
Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae),
Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168
. [all data]
Xu, Tang, et al., 2010
Xu, X.; Tang, Z.; Liang, Y.,
Comparative analysis of plant essential oils by GC-MS coupled with integrated chemometric resolution methods,
Anal. Methods, 2010, 2, 4, 359-367, https://doi.org/10.1039/b9ay00213h
. [all data]
Saidana, Mahjoub, et al., 2008
Saidana, D.; Mahjoub, M.A.; Boussaada, O.; Chriaa, J.; Cheraif, I.; Daami, M.; Mighri, Z.; Helal, A.N.,
Chemical composition and antimicrobial activity of volatile compounds of Tamarix boveana (Tamaricaceae),
Microbiol. Res., 2008, 163, 4, 445-455, https://doi.org/10.1016/j.micres.2006.07.009
. [all data]
Gudaityte and Venskutonis R.P., 2007
Gudaityte, O.; Venskutonis R.P.,
Chemotypes of Achillea millefolium transferred from 14 different locations in Lithuania to the controlled environment,
Biochem. Syst. Ecol., 2007, 35, 9, 582-592, https://doi.org/10.1016/j.bse.2007.03.016
. [all data]
Pala-Paul, Brophy, et al., 2007
Pala-Paul, J.; Brophy, J.J.; Perez-Alonso, M.J.; Usano, J.; Soria, S.C.,
Essential oil composition of the different parts of Eryngium corniculatum Lam. (Apiaceae) from Spain,
J. Chromatogr. A, 2007, 1175, 2, 289-293, https://doi.org/10.1016/j.chroma.2007.10.061
. [all data]
Morteza-Semnani, Saeedi, et al., 2006
Morteza-Semnani, K.; Saeedi, M.; Akbarsadeh, M.; Moshiri, K.,
The essential oil composition of Onosma microcarpum DC.,
Flavour Fragr. J., 2006, 21, 2, 314-316, https://doi.org/10.1002/ffj.1597
. [all data]
Wang, Yang, et al., 2006
Wang, Q.; Yang, Y.; Zhao, X.; Zhu, B.; Nan, P.; Zhao, J.; Wang, L.; Chen, F.; Liu, Z.; Zhong, Y.,
Chemical variation in the essential oil of Ephedra sinica from Northeastern China,
Food Chem., 2006, 98, 1, 52-58, https://doi.org/10.1016/j.foodchem.2005.04.033
. [all data]
Tzakou and Constantinidis, 2005
Tzakou, O.; Constantinidis, T.,
Chemotaxonomic significance of volatile compounds in Thymus samius and its related species Thymus atticus and Thymus parnassicus,
Biochem. Syst. Ecol., 2005, 33, 11, 1131-1140, https://doi.org/10.1016/j.bse.2005.03.008
. [all data]
Wong, Lee, et al., 2005
Wong, K.C.; Lee, B.C.; Lam, N.F.; Ibrahim, P.,
Essential oils of the rhizomes of Alpinia conchigera Griff. and Alpinia latilabris Ridl.,
Flavour Fragr. J., 2005, 20, 4, 431-433, https://doi.org/10.1002/ffj.1458
. [all data]
Limberger, Sobral, et al., 2004
Limberger, R.P.; Sobral, M.; Henriques, A.T.; Menut, C.; Bessière, J.-M.,
Óleos voláteis de espécies de Myrcia nativas do rio grande do sul,
Quim. Nova, 2004, 27, 6, 916-919, https://doi.org/10.1590/S0100-40422004000600015
. [all data]
Woerdenbag, Windono, et al., 2004
Woerdenbag, H.J.; Windono, T.; Bos, R.; Riswan, S.; Quax, W.J.,
Composition of the essential oils of Kaempferia rotunda L. and Kaempferia angustifolia Roscoe rhizomes from Indonesia,
Flavour Fragr. J., 2004, 19, 2, 145-148, https://doi.org/10.1002/ffj.1284
. [all data]
Brun, Bessière, et al., 2001
Brun, G.; Bessière, J.-M.; Dijoux-Franca, M.-G.; David, B.; Mariotte, A.-M.,
Volatile components of Catharanthus roseus (L.) G. Don (Apocynaceae),
Flavour Fragr. J., 2001, 16, 2, 116-119, https://doi.org/10.1002/ffj.958
. [all data]
Palá-Paúl, Pérez-Alonso, et al., 2001
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Palá-Paúl, R.; Sanz, J.; Conejero, Fco.,
Seasonal variation in chemical constituents of Santolina rosmarinifolia L. ssp. rosmarinifolia,
Biochem. Syst. Ecol., 2001, 29, 7, 663-672, https://doi.org/10.1016/S0305-1978(01)00032-1
. [all data]
Palá-Paúl, Pérez-Alonso, et al., 1999
Palá-Paúl, J.; Pérez-Alonso, M.J.; Velasco-Negueruela, A.; Ramos-Vázquez, P.; Gómez-Contreras, F.; Sanz, J.,
Essential oil of Santolina rosmarinifolia L. ssp. rosmarinifolia: first isolation of capillene, a diacetylene derivative,
Flavour Fragr. J., 1999, 14, 2, 131-134, https://doi.org/10.1002/(SICI)1099-1026(199903/04)14:2<131::AID-FFJ794>3.0.CO;2-7
. [all data]
Camciuc, Bessière, et al., 1998
Camciuc, M.; Bessière, J.M.; Vilarem, G.; Gaset, A.,
Volatile components in okra seed coat,
Phytochemistry, 1998, 48, 2, 311-315, https://doi.org/10.1016/S0031-9422(97)01127-8
. [all data]
Lamarque, Maestri, et al., 1998
Lamarque, A.L.; Maestri, D.M.; Zygadlo, J.A.; Grosso, N.R.,
Volatile constituents from flowers of Acacia caven (Mol.) Mol. var. caven, Acacia aroma Gill. ex Hook., Erythrina crista-galli L. and Calliandra tweedii Benth.,
Flavour Fragr. J., 1998, 13, 4, 266-268, https://doi.org/10.1002/(SICI)1099-1026(1998070)13:4<266::AID-FFJ739>3.0.CO;2-5
. [all data]
Sohounhloue, Dangou, et al., 1996
Sohounhloue, D.K.; Dangou, J.; Gnomhossou, B.; Garneau, F.-X.; Gagnon, H.; Jean, F.-I.,
Leaf oils of three Eucalyptus species from Benin: E. torelliana F. Muell., E. citriodora Hook. and E. tereticornis Smith,
J. Essent. Oil Res., 1996, 8, 1, 111-113, https://doi.org/10.1080/10412905.1996.9700571
. [all data]
Stashenko, Torres, et al., 1995
Stashenko, E.E.; Torres, W.; Morales, J.R.M.,
A study of the compositional variation of the essential oil of ylang-ylang (Cananga odorata Hook Fil. et Thomson, forma genuina) during flower development,
J. Hi. Res. Chromatogr., 1995, 18, 2, 101-104, https://doi.org/10.1002/jhrc.1240180206
. [all data]
Shiota, 1991
Shiota, H.,
Volatile components of pawpaw fruit (Asimina triloba Dunal.),
J. Agric. Food Chem., 1991, 39, 9, 1631-1635, https://doi.org/10.1021/jf00009a019
. [all data]
Notes
Go To: Top, Normal alkane 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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