trans-Alloocimene
- Formula: C10H16
- Molecular weight: 136.2340
- IUPAC Standard InChI: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5-8H,1-4H3/b8-6+,10-5+
- IUPAC Standard InChIKey: GQVMHMFBVWSSPF-SOYUKNQTSA-N
- CAS Registry Number: 14947-20-7
- 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: (E)-Alloocimene
- Information on this page:
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Gas Chromatography
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | SE-30 | 100. | 1118.7 | Saeed, Redant, et al., 1979 | 80. m/0.5 mm/0.8 μm |
| Capillary | SE-30 | 110. | 1119.8 | Saeed, Redant, et al., 1979 | 80. m/0.5 mm/0.8 μm |
| Capillary | SE-30 | 130. | 1120.4 | Saeed, Redant, et al., 1979 | 80. m/0.5 mm/0.8 μm |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SPB-1 | 1125. | John, Rao, et al., 1999 | 30. m/0.32 mm/0.25 μm, He, 50. C @ 3. min, 2. K/min, 250. C @ 5. min |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Carbowax 20M | 100. | 1402.8 | Saeed, Redant, et al., 1979 | Phase thickness: 0.5 μm |
| Capillary | Carbowax 20M | 70. | 1392.1 | Saeed, Redant, et al., 1979 | Phase thickness: 0.5 μm |
| Capillary | Carbowax 20M | 90. | 1400. | Saeed, Redant, et al., 1979 | Phase thickness: 0.5 μm |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1396. | Combariza, Tirado, et al., 1994 | 60. m/0.25 mm/0.25 μm, He, 50. C @ 10. min, 2. K/min, 150. C @ 20. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 MS | 1131. | Su, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 250. C @ 2. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5 MS | 1128. | Su, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | SE-30 | 1129. | Vinogradov, 2004 | Program: not specified |
| Capillary | Methyl Silicone | 1118. | Zenkevich, 1996 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP Innowax FSP | 1409. | Wedge, Klun, et al., 2009 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C (20 min) |
| Capillary | Supelcowax-10 | 1400. | Vichi, Guadayol, et al., 2006 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 4C/min => 75C => 8C/min => 260C(5min) |
| Capillary | Carbowax 20M | 1405. | Vinogradov, 2004 | Program: not specified |
| Capillary | Innowax FSC | 1409. | Baser, Demirei, et al., 2002 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Innowax | 1403. | Özcan, Akgül, et al., 2001 | 60. m/0.25 mm/0.25 μm, He; Program: 60C(10min) => 4C/min => 200C(10min) => 1C/min => 240C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Saeed, Redant, et al., 1979
Saeed, T.; Redant, G.; Sandra, P.,
Kovats Indices of Monoterpene Hydrocarbons on Glass Capillary Columns,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1979, 2, 2, 75-76, https://doi.org/10.1002/jhrc.1240020208
. [all data]
John, Rao, et al., 1999
John, K.S.; Rao, L.J.M.; Bhat, S.G.; Rao, U.J.S.P.,
Characterization of aroma components of sap from different Indian mango varieties,
Phytochemistry, 1999, 52, 5, 891-894, https://doi.org/10.1016/S0031-9422(99)00296-4
. [all data]
Combariza, Tirado, et al., 1994
Combariza, M.Y.; Tirado, C.B.; Stashenko, E.; Shibamoto, T.,
Limonene concentration in lemon (Citrus volkameriana) peel oil as a function of ripeness,
J. Hi. Res. Chromatogr., 1994, 17, 9, 643-646, https://doi.org/10.1002/jhrc.1240170905
. [all data]
Su, Wang, et al., 2009
Su, Y.; Wang, C.; Yinlong, G.,
Analysis of volatile compounds from Mentha hapioealyx Briq. by GC-MS based on accurate mass measurements and retention indices,
Acta Chem. Sinica, 2009, 67, 6, 546-554. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Zenkevich, 1996
Zenkevich, I.G.,
Analytical Parameters of Components of Essential Oils for their Chromatographic and Chromato-Mass Spectral Identification. Mono- and Sesquiterpenes,
Rastitelnye Resursy (Plant resources), 1996, 34, 1-2, 48-58. [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]
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]
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]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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