2,4,6-Octatriene, 2,6-dimethyl-
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChIKey: GQVMHMFBVWSSPF-SOYUKNQTSA-N
- CAS Registry Number: 673-84-7
- 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: Allo-Ocimene; 2,6-Dimethyl-2,4,6-octatriene; cis-Allo-ocimene; Ocimene, A110; Neo-allo-ocimene; Ocimene, allo-; 2,6-dimethyl-octa-2,4,6-triene; NSC 406263; (Z)-Alloocimene; neo-allo-3,7-dimethyl-1,3,6-octatriene (neo-allo-ocimene); allo-3,7-dimethyl-1,3,6-octatriene (allo-ocimene)
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Normal alkane RI, 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 | DB-Wax | HP Innowax FSP | HP-Innowax FSC | HP-Innowax FSC | Carbowax 20M |
Column length (m) | 60. | 60. | 60. | 60. | 25. |
Carrier gas | Helium | Helium | He | He | H2 |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.32 |
Phase thickness (μm) | 0.50 | 0.25 | 0.25 | 0.25 | 0.25 |
Program | 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C (20 min) | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 40C(8min) => 3C/min => 180C => 20C/min => 230C (10min) |
I | 1384. | 1382. | 1382. | 1382. | 1345. |
Reference | Miyazaki, Plotto, et al., 2011 | Wedge, Klun, et al., 2009 | Erdurak, Coskun, et al., 2006 | Kürkçüoglu, Hüsnü Can Baser, et al., 2006 | Lorenzo, Loayza, et al., 2006 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax FSC | Supelcowax-10 | HP-Innowax FSC | HP-Innowax FSC | Carbowax 20M |
Column length (m) | 60. | 30. | 60. | 60. | |
Carrier gas | He | He | He | ||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
Program | 60C(10min) => 4C/min => 220C (10min) => 1C/min => 240C | 40C(3min) => 4C/min => 75C => 8C/min => 260C(5min) | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | not specified |
I | 1382. | 1378. | 1382. | 1382. | 1370. |
Reference | Tabanca, Demirci, et al., 2006 | Vichi, Guadayol, et al., 2006 | Viljoen, Subramoney, et al., 2005 | Kivcak, Akay, et al., 2004 | Vinogradov, 2004 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
---|---|---|---|---|---|
Active phase | HP-Innowax FSC | Innowax FSC | Innowax | FFAP | Innowax |
Column length (m) | 60. | 60. | 60. | 50. | 60. |
Carrier gas | He | He | He | He | |
Substrate | |||||
Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.2 | 0.25 |
Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.33 | 0.25 |
Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C | 60C(1min) => 2.5C/min => 115C => 1C/min => 210C(30min) | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C |
I | 1382. | 1382. | 1382. | 1334. | 1382. |
Reference | Demirci, Demirci, et al., 2003 | Baser, Demirei, et al., 2002 | Özcan, Akgül, et al., 2001 | Tucker, Maciarello, et al., 2001 | Baser, Özek, et al., 2000 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
Miyazaki, Plotto, et al., 2011
Miyazaki, T.; Plotto, A.; Goodner, K.; Gmitter F.G.,
Distribution of aroma volatile compounds in tangerine hybrids and proposed inheritance,
J. Sci. Food Agric., 2011, 91, 3, 449-460, https://doi.org/10.1002/jsfa.4205
. [all data]
Wedge, Klun, et al., 2009
Wedge, D.E.; Klun, J.A.; Tabanca, N.; Demirci, B.; Ozek, T.; Baser, K.H.C.; Liu, Z.; Zhang, S.; Cantrell, C.L.; Zhang, J.,
Bioactivity-guided fractionation and GC/MS fingerprinting of Amgelica sinensis and Angelica archangelica root components for antifungal and mosquito deterrent activity,
J. Agric. Food Chem., 2009, 57, 2, 464-470, https://doi.org/10.1021/jf802820d
. [all data]
Erdurak, Coskun, et al., 2006
Erdurak, C.S.; Coskun, M.; Demirci, B.; Baser, K.H.C.,
Composition of the essential oil of fruits and roots of Ferulago isaurica Pesmen and F. syriaca Boiss. (Umbelliferae) from Turkey,
Flavour Fragr. J., 2006, 21, 1, 118-121, https://doi.org/10.1002/ffj.1540
. [all data]
Kürkçüoglu, Hüsnü Can Baser, et al., 2006
Kürkçüoglu, M.; Hüsnü Can Baser, K.; Iscan, G.; Malyer, H.; Kaynak, G.,
Composition and anticandidal activity of the essential oil of Chaerophyllum byzantinum Boiss.,
Flavour Fragr. J., 2006, 21, 1, 115-117, https://doi.org/10.1002/ffj.1539
. [all data]
Lorenzo, Loayza, et al., 2006
Lorenzo, D.; Loayza, I.; Dellacassa, E.,
Composition and chiral characterization of the essential oil of Buddleja tucumanensis from Bolivia,
Flavour Fragr. J., 2006, 21, 1, 95-98, https://doi.org/10.1002/ffj.1526
. [all data]
Tabanca, Demirci, et al., 2006
Tabanca, N.; Demirci, B.; Ozek, T.; Kirimer, N.; Can Baser, K.H.; Bedir, E.; Khan, I.A.; Wedge, D.E.,
Gas chromatographic-mass spectrometric analysis of essential oils from Pimpinella species gathered from Central and Northern Turkey,
J. Chromatogr. A, 2006, 1117, 2, 194-205, https://doi.org/10.1016/j.chroma.2006.03.075
. [all data]
Vichi, Guadayol, et al., 2006
Vichi, S.; Guadayol, J.M.; Caixach, J.; López-Tamames, E.; Buxaderas, S.,
Monoterpene and sesquiterpene hydrocarbons of virgin olive oil by headspace solid-phase microextraction coupled to gas chromatography/mass spectrometry,
J. Chromatogr. A, 2006, 1125, 1, 117-123, https://doi.org/10.1016/j.chroma.2006.05.029
. [all data]
Viljoen, Subramoney, et al., 2005
Viljoen, A.M.; Subramoney, S.; van Vuuren, S.F.; Baser, K.H.C.; Demirci, B.,
The composition, geographical variation and antimicrobial activity of Lippia javanica (Verbenaceae) leaf essential oils,
J. Ethnopharmacol., 2005, 96, 1-2, 271-277, https://doi.org/10.1016/j.jep.2004.09.017
. [all data]
Kivcak, Akay, et al., 2004
Kivcak, B.; Akay, S.; Demirci, B.; Baser, K.H.C.,
Chemical composition of essential oils from leaves and twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey,
Pharm. Biol, 2004, 42, 4-5, 360-366, https://doi.org/10.1080/13880200490519677
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Demirci, Demirci, et al., 2003
Demirci, B.; Demirci, F.; Baser, K.H.C.,
Composition of the essential oil of Cotinus coggygria Scop. from Turkey,
Flavour Fragr. J., 2003, 18, 1, 43-44, https://doi.org/10.1002/ffj.1149
. [all data]
Baser, Demirei, et al., 2002
Baser, K.H.C.; Demirei, B.; Özek, T.; Akalin, E.; Özhatay, N.,
Micro-distilled volatile compounds from Ferulago species growing in Western Turkey,
Pharm. Biol., 2002, 40, 6, 466-471, https://doi.org/10.1076/phbi.40.6.466.8439
. [all data]
Özcan, Akgül, et al., 2001
Özcan, M.; Akgül, A.; Bascr, K.H.C.; Özck, T.; Tabanca, N.,
Essential oil composition of sea fennel (Crithmum maritimum) form Turkey,
Nahrung/Food, 2001, 45, 5, 353-356, https://doi.org/10.1002/1521-3803(20011001)45:5<353::AID-FOOD353>3.0.CO;2-4
. [all data]
Tucker, Maciarello, et al., 2001
Tucker, A.O.; Maciarello, M.J.; Alkire, B.H.,
Essential oil of Aeollanthus suaveolens Mart. ex Spreng. (Lamiaceae),
J. Essent. Oil Res., 2001, 13, 3, 198-199, https://doi.org/10.1080/10412905.2001.9699662
. [all data]
Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Duman, H.,
Composition of the essential oil of Glaucosciadium cordifolium (Boiss.) Burtt et Davis from Turkey,
Flavour Fragr. J., 2000, 15, 1, 45-46, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<45::AID-FFJ867>3.0.CO;2-L
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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