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:
- (Z,E)-Farnesyl acetate
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:
- Mass spectrum (electron ionization)
Options:
- Switch to SI units

Phase change data

Go To: Top, Gas Chromatography, References, Notes

Data compiled by: Robert L. Brown and Stephen E. Stein

Reduced pressure boiling point

T_boil (K)	Pressure (atm)	Reference
393.2	0.0004	Aldrich Chemical Company Inc., 1990

Gas Chromatography

Go To: Top, Phase change data, References, Notes

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1812.	Yáñez, Pinzón, et al., 2002	50. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2.5 K/min; T_end: 250. C
Capillary	DB-5	1843.	Adams, 2000	30. m/0.26 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1843.	Adams, 1998	30. m/0.26 mm/0.25 μm; Program: not specified

Kovats' RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Innowax	2234.	Yáñez, Pinzón, et al., 2002	50. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2.5 K/min; T_end: 180. C
Capillary	Carbowax 20M	2222.	Gaydou, Randriamiharisoa, et al., 1986	50. m/0.3 mm/0.15 μm, H2, 2. K/min; T_start: 70. C; T_end: 210. C

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1840.	Benkaci-Ali, Baaliouamer, et al., 2007	30. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 30. min
Capillary	SPB-1	1828.	Blagojevic, Radulovic, et al., 2006	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min
Capillary	DB-5	1844.	Blagojevic, Radulovic, et al., 2006	30. m/0.2 mm/0.25 μm, He, 50. C @ 3. min, 5. K/min, 250. C @ 15. min
Capillary	DB-5	1846.	Dob, Dahmane, et al., 2006	30. m/0.32 mm/0.25 μm, N2, 60. C @ 3. min, 3. K/min, 240. C @ 5. min
Capillary	BP-1	1816.	Gonny, Cavaleiro, et al., 2006	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C
Capillary	DB-1	1826.	Boyom, Assembe, et al., 2003	30. m/0.25 mm/0.25 μm, N2, 5. K/min, 200. C @ 0. min; T_start: 50. C
Capillary	HP-5	1843.	Skaltsa, Demetzos, et al., 2003	30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; T_end: 280. C
Capillary	HP-5MS	1843.	Demetzos, Angelopoulou, et al., 2002	30. m/0.25 mm/0.25 μm, 50. C @ 5. min, 3. K/min; T_end: 280. C
Capillary	DB-1	1816.	bin Jantan and bin Ahmad, 2002	N2, 60. C @ 10. min, 3. K/min, 180. C @ 10. min; Column length: 25. m; Column diameter: 0.25 mm
Capillary	DB-5	1837.	Nogueira, Bittrich, et al., 2001	30. m/0.25 mm/0.25 μm, H2, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	HP-5	1839.	Song, Sawamura, et al., 2000	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 70. C; T_end: 230. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1842.	Andrade, Sampaio, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 4C/min => 220C => 20C/min => 280C
Capillary	SE-52	1842.	Mondello, Dugo, et al., 1995	60. m/0.32 mm/0.40 μm, He; Program: 45 C (6 min) 3 C/min -> 111 0C 2 C/min -> 160 C 3 C/min -> 300 C (15 min)

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	BP-20	2265.	Gonny, Cavaleiro, et al., 2006	50. m/0.22 mm/0.25 μm, He, 2. K/min, 220. C @ 20. min; T_start: 60. C
Capillary	DB-Wax	2282.	Choi, 2005	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	2283.	Choi, 2003	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	2276.	Choi and Sawamura, 2000	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	HP-Wax	2280.	Christensen, Jakobsen, et al., 1997	50. m/0.2 mm/0.4 μm, He, 30. C @ 1. min, 5. K/min, 220. C @ 30. min
Capillary	Carbowax 20M	2251.	Mondello, Dugo, et al., 1995	60. m/0.32 mm/0.425 μm, He, 45. C @ 3. min, 3. K/min, 300. C @ 20. min

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	1854.	Pripdeevech and Saansoomchai, 2013	30. m/0.25 mm/0.25 μm, Helium, 3. K/min; T_start: 60. C; T_end: 230. C
Capillary	HP-5 MS	1844.	Radulovic, Blagojevic, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; T_start: 70. C
Capillary	DB-1	1817.	Xu, Tang, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 220. C @ 2. min
Capillary	HP-5	1844.	Saidana, Mahjoub, et al., 2008	30. m/0.25 mm/0.25 μm, Nitrogen, 50. C @ 1. min, 5. K/min, 280. C @ 1. min
Capillary	Col-Elite 5MS	1847.	Gudaityte and Venskutonis R.P., 2007	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 30. C; T_end: 246. C
Capillary	DB-1	1824.	Pala-Paul, Brophy, et al., 2007	50. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 95. C; T_end: 240. C
Capillary	DB-5	1850.	Morteza-Semnani, Saeedi, et al., 2006	30. m/0.25 mm/0.25 μm, He, 60. C @ 4. min, 4. K/min; T_end: 260. C
Capillary	HP-5	1816.	Wang, Yang, et al., 2006	30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 10. K/min, 250. C @ 10. min
Capillary	DB-5	1818.	Tzakou and Constantinidis, 2005	30. m/0.32 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 280. C
Capillary	SPB-1	1810.	Wong, Lee, et al., 2005	50. m/0.2 mm/0.33 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 30. min
Capillary	DB-5	1837.	Limberger, Sobral, et al., 2004	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 300. C
Capillary	DB-5	1836.	Woerdenbag, Windono, et al., 2004	30. m/0.249 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 300. C
Capillary	Optima-1	1814.	Brun, Bessière, et al., 2001	25. m/0.20 mm/0.25 μm, He, 50. C @ 3. min, 3. K/min; T_end: 250. C
Capillary	DB-1	1814.	Palá-Paúl, Pérez-Alonso, et al., 2001	30. m/0.25 mm/0.25 μm, N2, 4. K/min; T_start: 80. C; T_end: 225. C
Capillary	DB-1	1814.	Palá-Paúl, Pérez-Alonso, et al., 1999	50. m/0.25 mm/0.25 μm, He, 4. K/min; T_start: 70. C; T_end: 240. C
Capillary	OV-101	1814.	Camciuc, Bessière, et al., 1998	50. m/0.22 mm/1. μm, He, 100. C @ 1. min, 1. K/min; T_end: 220. C
Capillary	CBP-1	1844.	Lamarque, Maestri, et al., 1998	He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 60. C; T_end: 240. C
Capillary	DB-5	1843.	Sohounhloue, Dangou, et al., 1996	40. C @ 2. min, 2. K/min, 210. C @ 33. min; Column length: 30. m; Column diameter: 0.25 mm
Capillary	DB-1	1814.	Stashenko, Torres, et al., 1995	60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 3.5 K/min; T_end: 250. C
Capillary	DB-1	1815.	Shiota, 1991	60. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 50. C; T_end: 240. C
Capillary	DB-1	1824.	Shiota, 1991	60. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 50. C; T_end: 240. C

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1826.	Xu, Tang, et al., 2010	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	CP Sil 8 CB	1843.	Kristiawan, Sobolik, et al., 2008	30. m/0.25 mm/0.25 μm; Program: 60C => 2.5C/min => 170C => 10C/min => 250C (5min)
Capillary	HP-5MS	1843.	Takaku, Haber, et al., 2007	He; Column length: 30. m; Column diameter: 0.25 mm; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C
Capillary	CP Sil 8 CB	1847.	Mockute, Bernotiene, et al., 2006	50. m/0.32 mm/0.25 μm, He; Program: 60 0C (2 min) 5 0C/min -> 160 0C 10 0C/min -> 250 0C (5 min)
Capillary	SE-30	1821.	Vinogradov, 2004	Program: not specified
Capillary	Methyl Silicone	1821.	Zenkevich, 1999	Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	2255.	Wei A. and Shibamoto T., 2007	60. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 3. K/min, 180. C @ 80. min
Capillary	Supelcowax-10	2257.	Wong and Tan, 2005	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 30. min
Capillary	DB-Wax	2259.	Choi, 2004	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	Supelcowax-10	2261.	Lamarque, Maestri, et al., 1998	He, 4. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 60. C; T_end: 240. C
Capillary	DB-Wax	2234.	Stashenko, Torres, et al., 1995	60. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 2.5 K/min; T_end: 180. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Carbowax 20M	2242.	Vinogradov, 2004	Program: not specified
Capillary	HP-Innowax FSC	2273.	Bagci, Baser, et al., 1999	60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C
Capillary	HP-Innowax FSC	2273.	Kamariah, Lim, et al., 1999	60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C(20min)

References

Go To: Top, Phase change data, Gas Chromatography, Notes

Aldrich Chemical Company Inc., 1990
Aldrich Chemical Company Inc., Catalog Handbook of Fine Chemicals, Aldrich Chemical Company, Inc., Milwaukee WI, 1990, 1. [all data]

Yáñez, Pinzón, et al., 2002
Yáñez, X.; Pinzón, M.L.; Solano, F.; Sánchez, L.R., Chemical composition of the essential oil of Psidium caudatum McVaugh, Molecules, 2002, 7, 9, 712-716, https://doi.org/10.3390/70900712 . [all data]

Adams, 2000
Adams, R.P., Systematics of Juniperus section Juniperus based on leaf essential oils and random amplified polymorphic DNAs (RAPDs), Biochem. Syst. Ecol., 2000, 28, 6, 515-528, https://doi.org/10.1016/S0305-1978(99)00089-7 . [all data]

Adams, 1998
Adams, R.P., The essential oils and chemotaxonomy of Juniperus sect. Juniperus, Biochem. Syst. Ecol., 1998, 26, 6, 637-645, https://doi.org/10.1016/S0305-1978(98)00020-9 . [all data]

Gaydou, Randriamiharisoa, et al., 1986
Gaydou, E.M.; Randriamiharisoa, R.; Bianchini, J.-P., Composition of the essential oil of ylang-ylang (Canaga odorata Hook Fil. et Thomson forma genuina) from Madagascar, J. Agric. Food Chem., 1986, 34, 3, 481-487, https://doi.org/10.1021/jf00069a028 . [all data]

Benkaci-Ali, Baaliouamer, et al., 2007
Benkaci-Ali, F.; Baaliouamer, A.; Meklati, B.Y.; Chemat, F., Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation, Flavour Fragr. J., 2007, 22, 2, 148-153, https://doi.org/10.1002/ffj.1773 . [all data]

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Blagojevic, P.; Radulovic, N.; Palic, R.; Stojanovic, G., Chemical composition of the essential oils of Serbian wild-growing Srtemisia absinthium and Artemisia vulgaris, J. Agric. Food Chem., 2006, 54, 13, 4780-4789, https://doi.org/10.1021/jf060123o . [all data]

Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Chelghoum, C., Essential oil composition of Juniperus oxycedrus growing in Algeria, Pharm. Biol., 2006, 44, 1, 1-6, https://doi.org/10.1080/13880200500530922 . [all data]

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Gonny, M.; Cavaleiro, C.; Salgueiro, L.; Casanova, J., Analysis of Juniperus communis subsp. alpina needle, berry, wood and root oils by combination of GC, GC/MS and ¹³C-NMR, Flavour Fragr. J., 2006, 21, 1, 99-106, https://doi.org/10.1002/ffj.1527 . [all data]

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Boyom, F.F.; Assembe, E.Z.; Zollo, P.H.A.; Agnaniet, H.; Menut, C.; Bessière, J.M., Aromatic plants of tropical central Africa. Part XLII. Volatile components from Antidesma laciniatum Muell. Arg. Var. laciniatum growing in Cameroon, Flavour Fragr. J., 2003, 18, 5, 451-453, https://doi.org/10.1002/ffj.1251 . [all data]

Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M., Essential oil analysis and antimicrobial activity of eight Stachys species from Greece, Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8 . [all data]

Demetzos, Angelopoulou, et al., 2002
Demetzos, C.; Angelopoulou, D.; Perdetzoglou, D., A comparative study of the essential oils of Cistus salviifolius in several populations of Crete (Greece), Biochem. Syst. Ecol., 2002, 30, 7, 651-665, https://doi.org/10.1016/S0305-1978(01)00145-4 . [all data]

bin Jantan and bin Ahmad, 2002
bin Jantan, I.; bin Ahmad, F., Chemical constituents of the essential oils of Goniothalamus malayanus Hook. f. and Thoms., Flavour Fragr. J., 2002, 17, 5, 372-374, https://doi.org/10.1002/ffj.1107 . [all data]

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Song, Sawamura, et al., 2000
Song, H.S.; Sawamura, M.; Ito, T.; Kawashimo, K.; Ukeda, H., Quantitative determination of characteric flavour of Citrus junos (yuzu) peel oil, Flavour Fragr. J., 2000, 15, 4, 245-250, https://doi.org/10.1002/1099-1026(200007/08)15:4<245::AID-FFJ904>3.0.CO;2-V . [all data]

Andrade, Sampaio, et al., 2007
Andrade, M.S.; Sampaio, T.S.; Nogueira, P.C.L.; Ribeiro, A.S.; Bittrich, V.; Amaral, M.C.E., Volatile compounds of the leaves, flowers and fruits of Kielmeyera rugosa Choisy (Clusiaceae), Flavour Fragr. J., 2007, 22, 1, 49-52, https://doi.org/10.1002/ffj.1751 . [all data]

Mondello, Dugo, et al., 1995
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Choi, 2005
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Choi, 2003
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Pripdeevech and Saansoomchai, 2013
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Pala-Paul, Brophy, et al., 2007
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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
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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
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Notes

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Symbols used in this document:

T_boil Boiling point
Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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