cis-3-Hexenyl salicylate
- Formula: C13H16O3
- Molecular weight: 220.2643
- IUPAC Standard InChI: InChI=1S/C13H16O3/c1-2-3-4-7-10-16-13(15)11-8-5-6-9-12(11)14/h3-6,8-9,14H,2,7,10H2,1H3/b4-3-
- IUPAC Standard InChIKey: IEPWIPZLLIOZLU-ARJAWSKDSA-N
- CAS Registry Number: 65405-77-8
- 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: Benzoic acid, 2-hydroxy-, 3-hexenyl ester, (Z)-; Salicylic acid, 3-hexen-1-yl ester; β,γ-cis-Hexenyl salicylate; Salicylic acid, 3-hexenyl ester, (Z)-; (3Z)-3-Hexenyl salicylate; (Z)-3-Hexenyl salicylate
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1670. | Pino, Mesa, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min, 250. C @ 20. min |
| Capillary | OV-101 | 1637.7 | Wang and Sun, 1987 | 26. m/0.26 mm/0.3 μm, 2. K/min; Tstart: 100. C; Tend: 240. C |
| Capillary | OV-101 | 1636.1 | Wang and Sun, 1987 | 26. m/0.26 mm/0.3 μm, 2. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | OV-101 | 1651.8 | Wang and Sun, 1987 | 26. m/0.26 mm/0.3 μm, 8. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | OV-101 | 1664.0 | Wang and Sun, 1987 | 21.5 m/0.27 mm/2. μm, 6. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | OV-101 | 1640.8 | Wang and Sun, 1987 | 21.5 m/0.27 mm/0.14 μm, 6. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | OV-101 | 1649.4 | Wang and Sun, 1987, 2 | 26.5 m/0.25 mm/0.14 μm, 70. C @ 4.08 min, 9. K/min; Tend: 240. C |
| Capillary | OV-101 | 1654.55 | Wang, Zhong, et al., 1987 | 24. m/0.26 mm/0.5 μm, 6. K/min; Tstart: 80. C; Tend: 240. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-1 | 1643.7 | Yin and Sun, 1990 | 12. m/0.2 mm/0.33 μm, 40. C @ 0.395 min, 16. K/min |
| Capillary | HP-1 | 1629.1 | Yin and Sun, 1990 | 12. m/0.2 mm/0.33 μm, 40. C @ 0.4 min, 4. K/min |
| Capillary | HP-1 | 1644.3 | Yin and Sun, 1990 | 12. m/0.2 mm/0.33 μm, 40. C @ 0.801 min, 8. K/min |
| Capillary | HP-1 | 1643.7 | Yin and Sun, 1990 | 25. m/0.32 mm/0.52 μm, 40. C @ 0.8 min, 8. K/min |
| Capillary | HP-1 | 1647.8 | Yin and Sun, 1990 | 50. m/0.2 mm/0.11 μm, 40. C @ 3.194 min, 6. K/min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SE-30 | 1654. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Supelcowax 10 | 2274. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (10 min) 2 0C/min -> 80 0C 3 0C/min -> 100 0C 4 0C/min -> 220 0C (30 min) |
| Capillary | Supelcowax 10 | 2285. | Castioni and Kapetanidis, 1996 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
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.
Pino, Mesa, et al., 2005
Pino, J.A.; Mesa, J.; Muñoz, Y.; Martí, M.P.; Marbot, R.,
Volatile components from mango (Mangifera indica L.) cultivars,
J. Agric. Food Chem., 2005, 53, 6, 2213-2223, https://doi.org/10.1021/jf0402633
. [all data]
Wang and Sun, 1987
Wang, T.; Sun, Y.,
On the influence of the solute sample size on temperature-programmed retention indices,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1987, 10, 11, 603-606, https://doi.org/10.1002/jhrc.1240101105
. [all data]
Wang and Sun, 1987, 2
Wang, T.; Sun, Y.,
Reproducibility of Temperature-Programmed Retention Indices on Several OV-101 Columns,
J. Chromatogr., 1987, 407, 79-86, https://doi.org/10.1016/S0021-9673(01)92606-8
. [all data]
Wang, Zhong, et al., 1987
Wang, T.; Zhong, B.; Chen, M.; Sun, Y.,
Definitions and Methods of Calculation of the Temperature-Programmed Retention Index, ITP. III. A Simplified Calculation Method Based on the Extended Kovats Definition,
J. Chromatogr., 1987, 390, 2, 275-283, https://doi.org/10.1016/S0021-9673(01)94381-X
. [all data]
Yin and Sun, 1990
Yin, H.F.; Sun, Y.L.,
The achievement of reproducible temperature programmed retention indices in gas chromatography when using different columns and detectors,
Chromatographia, 1990, 29, 1/2, 39-43, https://doi.org/10.1007/BF02261137
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Castioni and Kapetanidis, 1996
Castioni, P.; Kapetanidis, I.,
Volatile constituents from Brunfelsia grandiflora ssp. grandiflora: qualitative analysis by GC-MS,
Scientia Pharmaceutica, 1996, 64, 83-91. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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