cis-3-Hexenyl salicylate
- Formula: C13H16O3
- Molecular weight: 220.2643
- 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
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz 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-5MS | OV-101 | OV-101 | OV-101 | OV-101 |
Column length (m) | 30. | 26. | 26. | 26. | 21.5 |
Carrier gas | He | ||||
Substrate | |||||
Column diameter (mm) | 0.25 | 0.26 | 0.26 | 0.26 | 0.27 |
Phase thickness (μm) | 0.25 | 0.3 | 0.3 | 0.3 | 2. |
Tstart (C) | 60. | 100. | 60. | 60. | 60. |
Tend (C) | 250. | 240. | 240. | 240. | 240. |
Heat rate (K/min) | 4. | 2. | 2. | 8. | 6. |
Initial hold (min) | 2. | ||||
Final hold (min) | 20. | ||||
I | 1670. | 1637.7 | 1636.1 | 1651.8 | 1664.0 |
Reference | Pino, Mesa, et al., 2005 | Wang and Sun, 1987 | Wang and Sun, 1987 | Wang and Sun, 1987 | Wang and Sun, 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
Column type | Capillary | Capillary | Capillary |
---|---|---|---|
Active phase | OV-101 | OV-101 | OV-101 |
Column length (m) | 21.5 | 26.5 | 24. |
Carrier gas | |||
Substrate | |||
Column diameter (mm) | 0.27 | 0.25 | 0.26 |
Phase thickness (μm) | 0.14 | 0.14 | 0.5 |
Tstart (C) | 60. | 70. | 80. |
Tend (C) | 240. | 240. | 240. |
Heat rate (K/min) | 6. | 9. | 6. |
Initial hold (min) | 4.08 | ||
Final hold (min) | |||
I | 1640.8 | 1649.4 | 1654.55 |
Reference | Wang and Sun, 1987 | Wang and Sun, 1987, 2 | Wang, Zhong, et al., 1987 |
Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
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]
Notes
Go To: Top, Van Den Dool and Kratz 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
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.