Hexyl tiglate
- Formula: C11H20O2
- Molecular weight: 184.2753
- IUPAC Standard InChI: InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h5H,4,6-9H2,1-3H3/b10-5+
- IUPAC Standard InChIKey: JTCIUOKKVACNCK-BJMVGYQFSA-N
- CAS Registry Number: 16930-96-4
- 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: 2-Butenoic acid, 2-methyl-, hexyl ester, (E)-; Crotonic acid, 2-methyl-, hexyl ester, (E)-; ENT 33335; n-Hexyl trans-2-methyl-2-butenoate; n-Hexyl tiglinate; (E)-Hexyl 2-methylbut-2-enoate; Hexyl (E)-2-methylbut-2-enoate; hexyl 2-methyl-2-butenoate; hexyl crotonate
- Information on this page:
- Other data available:
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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 | VF-5MS | DB-5 | HP-5MS | HP-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | N2 | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 270. | 240. | 280. | 260. | 280. |
| Heat rate (K/min) | 3. | 4. | 3. | 4. | |
| Initial hold (min) | 3. | 5. | 5. | ||
| Final hold (min) | 3. | ||||
| I | 1330. | 1335. | 1331. | 1331. | 1331. |
| Reference | Liang, 2010 | Dob, Dahmane, et al., 2006 | Saroglou, Dorizas, et al., 2006 | Javidnia, Miri, et al., 2005 | Skaltsa, Demetzos, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | RTX-5 | RTX-5 | HP-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | |
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 45. | 45. | 40. | 50. |
| Tend (C) | 250. | 250. | 280. | 280. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. |
| Initial hold (min) | 6. | 6. | 4. | 5. |
| Final hold (min) | ||||
| I | 1331. | 1337. | 1330. | 1330. |
| Reference | Shellie, Mondello, et al., 2002 | Shellie, Mondello, et al., 2002 | Ruther, 2000 | Lazari, Skaltsa, et al., 1999 |
| Comment | MSDC-RI | 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.
Liang, 2010
Liang, Y.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2010. [all data]
Dob, Dahmane, et al., 2006
Dob, T.; Dahmane, D.; Agli, M.; Chelghoum, C.,
Essential oil composition of Lavandula stoechas from Algeria,
Pharm. Biol., 2006, 44, 1, 60-64, https://doi.org/10.1080/13880200500496421
. [all data]
Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D.,
Analysis of the essential oil composition of eight Anthemis species from Greece,
J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087
. [all data]
Javidnia, Miri, et al., 2005
Javidnia, K.; Miri, R.; Jamalian, A.,
Composition of the essential oil of Salvia macrosiphon Boiss. from Iran,
Flavour Fragr. J., 2005, 20, 5, 542-543, https://doi.org/10.1002/ffj.1468
. [all data]
Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M.,
Essential oil analysis and antimicrobial activity of eight Stachys species from Greece,
Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8
. [all data]
Shellie, Mondello, et al., 2002
Shellie, R.; Mondello, L.; Marriott, P.; Dugo, G.,
Characterisation of lavender essential oils by using gas chromatography-mass spectrometry with correlation of linear retention indices and comparison with comprehensive two-dimensional gas chromatography,
J. Chromatogr. A, 2002, 970, 1-2, 225-234, https://doi.org/10.1016/S0021-9673(02)00653-2
. [all data]
Ruther, 2000
Ruther, J.,
Retention index database for identification of general green leaf volatiles in plants coupled capillary gas chromatography-mass spectrometry,
J. Chromatogr. A, 2000, 890, 2, 313-319, https://doi.org/10.1016/S0021-9673(00)00618-X
. [all data]
Lazari, Skaltsa, et al., 1999
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T.,
Essential oils of Marrubium velutinum Sm. and Marrubium peregrinum L., growing wild in Greece,
Flavour Fragr. J., 1999, 14, 5, 290-292, https://doi.org/10.1002/(SICI)1099-1026(199909/10)14:5<290::AID-FFJ828>3.0.CO;2-4
. [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
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