3-Hexen-1-ol, benzoate, (Z)-
- Formula: C13H16O2
- Molecular weight: 204.2649
- IUPAC Standard InChI: InChI=1S/C13H16O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h3-7,9-10H,2,8,11H2,1H3/b4-3-
- IUPAC Standard InChIKey: BCOXBEHFBZOJJZ-ARJAWSKDSA-N
- CAS Registry Number: 25152-85-6
- 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: cis-3-Hexenyl benzoate; Benzoic acid cis-3-hexenyl ester; Benzoic acid, 3-hexenyl ester, (Z)-; (3Z)-3-Hexenyl benzoate; cis-Hexenyl-3-benzoate; Hex-3(Z)-enyl benzoate; (Z)-3-Hexen-1-ol benzoate; (Z)-3-Hexen-1-yl-benzoate; Z-Hex-3-en-1-yl benzoate; 3-Hexenyl benzoate, cis-; (Z)-3-Hexenyl benzoate; 3-(Z)-Hexenyl benzoate; (Z)-hex-3-enyl benzoate
- Information on this page:
- Other data available:
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Kovats' RI, 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 |
|---|---|---|---|
| Active phase | BP-20 | Carbowax 20M | Carbowax 20M |
| Column length (m) | 30. | 59. | 50. |
| Carrier gas | N2 | ||
| Substrate | |||
| Column diameter (mm) | 0.32 | 0.25 | 0.23 |
| Phase thickness (μm) | 0.25 | ||
| Tstart (C) | 60. | 70. | 80. |
| Tend (C) | 220. | 190. | 200. |
| Heat rate (K/min) | 5. | 1. | 2. |
| Initial hold (min) | |||
| Final hold (min) | 14. | ||
| I | 2126. | 2119. | 2074. |
| Reference | Khan, Verma, et al., 2006 | Palma-Fleming and Kepner, 1983 | Toda, Mihara, et al., 1983 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, 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.
Khan, Verma, et al., 2006
Khan, M.; Verma, S.C.; Srivastava, S.K.; Shawl, A.S.; Syamsundar, K.V.; Khanuja, S.P.S.; Kumar, T.,
Essential oil composition of Taxus wallichiana Zucc. from the Northern Himalayan region of India,
Flavour Fragr. J., 2006, 21, 5, 772-775, https://doi.org/10.1002/ffj.1682
. [all data]
Palma-Fleming and Kepner, 1983
Palma-Fleming, H.A.; Kepner, R.E.,
Volatile components of California live oak, Quercus agrifolia,
Phytochemistry, 1983, 22, 6, 1503-1505, https://doi.org/10.1016/S0031-9422(00)84047-9
. [all data]
Toda, Mihara, et al., 1983
Toda, H.; Mihara, S.; Umano, K.; Shibamoto, T.,
Photochemical studies on jasmin oil,
J. Agric. Food Chem., 1983, 31, 3, 554-558, https://doi.org/10.1021/jf00117a022
. [all data]
Notes
Go To: Top, Kovats' RI, 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
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