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:
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Gas Chromatography
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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1330. | Liang, 2010 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
| Capillary | DB-5 | 1335. | Dob, Dahmane, et al., 2006 | 30. m/0.25 mm/0.25 μm, N2, 60. C @ 3. min, 3. K/min, 240. C @ 3. min |
| Capillary | HP-5MS | 1331. | Saroglou, Dorizas, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5 | 1331. | Javidnia, Miri, et al., 2005 | He, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 60. C; Tend: 260. C |
| Capillary | HP-5 | 1331. | Skaltsa, Demetzos, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | RTX-5 | 1331. | Shellie, Mondello, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C |
| Capillary | RTX-5 | 1337. | Shellie, Mondello, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; Tend: 250. C |
| Capillary | HP-5 | 1330. | Ruther, 2000 | 30. m/0.32 mm/0.25 μm, 40. C @ 4. min, 3. K/min; Tend: 280. C |
| Capillary | HP-5 | 1330. | Lazari, Skaltsa, et al., 1999 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; Tend: 280. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1333.4 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 1602. | Ruther, 2000 | 30. m/0.32 mm/0.25 μm, 40. C @ 4. min, 3. K/min; Tend: 230. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1331. | Kahriman, Tosun, et al., 2011 | 30. m/0.32 mm/0.25 μm, Helium, 60. C @ 2. min, 3. K/min; Tend: 240. C |
| Capillary | DB-1-MS | 1310. | Takeoka, Hobbs, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium, 30. C @ 4. min, 2. K/min, 200. C @ 35. min |
| Capillary | HP-5 MS | 1330. | Forero, Quijano, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 4. min, 4. K/min, 230. C @ 10. min |
| Capillary | HP-5 MS | 1329. | Sahraoui, Vian, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 8. min, 2. K/min, 250. C @ 15. min |
| Capillary | HP-5 | 1328. | Bertrand, Comte, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 250. C |
| Capillary | HP-101 | 1316. | Mastelic, Jerkovic, et al., 2006 | 25. m/0.2 mm/0.2 μm, He, 70. C @ 2. min, 3. K/min, 200. C @ 15. min |
| Capillary | DB-5 | 1329. | Mirza, Navaei, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 3. K/min; Tend: 250. C |
| Capillary | DB-1 | 1306. | Khanavi, Ghasemian, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 2.5 K/min, 265. C @ 20. min |
| Capillary | HP-5MS | 1326. | Sadeghpour, Asghari, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5 | 1330. | Sajjadi and Mehregan, 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 60. C; Tend: 280. C |
| Capillary | HP-5 | 1330. | Bicalho, Pereira, et al., 2000 | 30. m/0.25 mm/0.25 μm, H2, 40. C @ 10. min, 3. K/min, 280. C @ 10. min |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 1316. | Albano, Lima, et al., 2012 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min) |
| Capillary | HP-5 | 1333. | Kahriman, Tosun, et al., 2011 | 30. m/0.32 mm/0.25 μm, Helium; Program: not specified |
| Capillary | DB-1-MS | 1310. | Takeoka, Hobbs, et al., 2010 | 60. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | SLB-5 MS | 1329. | Costa, De Fina, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: 50 0C 3 0C/min -> 250 0C (1 min) 10 0C/min -> 300 0C (5 min) |
| Capillary | SLB-5 MS | 1330. | Costa, De Fina, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | CP Sil 8 CB | 1331. | Judpentienë and Mockutë, 2004 | 50. m/0.32 mm/0.25 μm, He; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (5min) |
| Capillary | SE-30 | 1310. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax PEG CB | 1622. | Adams and Dev, 2010 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 246. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax FSC | 1631. | Suleimenov Y.M., Atazhanova G.A., et al., 2006 | 60. m/0.25 mm/0.25 μm, He; Program: 60(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | HP Innowax FSP | 1631. | Altintas, Kose, et al., 2004 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Carbowax 20M | 1621. | Vinogradov, 2004 | Program: not specified |
| Capillary | Innowax FSC | 1631. | Kirimer, Tabanca, et al., 1999 | 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 |
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.
Liang, 2010
Liang, Y.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2010. [all data]
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Dob, T.; Dahmane, D.; Agli, M.; Chelghoum, C.,
Essential oil composition of Lavandula stoechas from Algeria,
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Analysis of the essential oil composition of eight Anthemis species from Greece,
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Javidnia, Miri, et al., 2005
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Composition of the essential oil of Salvia macrosiphon Boiss. from Iran,
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Skaltsa, Demetzos, et al., 2003
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Essential oil analysis and antimicrobial activity of eight Stachys species from Greece,
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Shellie, Mondello, et al., 2002
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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,
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Retention index database for identification of general green leaf volatiles in plants coupled capillary gas chromatography-mass spectrometry,
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Lazari, Skaltsa, et al., 1999
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Essential oils of Marrubium velutinum Sm. and Marrubium peregrinum L., growing wild in Greece,
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Andriamaharavo, 2014
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Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Kahriman, Tosun, et al., 2011
Kahriman, N.; Tosun, G.; Terzioglu, S.; Karaoglu, S.A.; Yayh, N.,
Chemical composition and antimicrobial activity of the essential oils from the flower, leaf, and stem of Senecio pandurifolis,
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Takeoka, Hobbs, et al., 2010
Takeoka, G.R.; Hobbs, C.; Byeoung-Soo, P.,
Volatile constituents of the aerial parts of Salvia apiana Jepson,
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Forero, Quijano, et al., 2008
Forero, M.D.; Quijano, C.E.; Pino, J.A.,
Volatile compounds of Chile pepper (Capsicum annuum L. var. glabriusculum) at two ripening stages,
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Sahraoui, Vian, et al., 2008
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Solid-phase microextraction of volatile compounds from flowers of two Brunfelsia species,
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Volatile constituents from flowers, leaves, bark and wood of Prunus mahaleb L.,
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Khanavi, M.; Ghasemian, L.; Motlagh, E.H.; Hadjiakhoondi, A.; Shafiee, A.,
Chemical composition of the essential oils of Marrubium parviflorum Fisch. C.A. Mey. and Marrubium vulgare L. from Iran,
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Sajjadi and Mehregan, 2003
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Chemical composition of the essential oil of Prangos Asperula Boiss. subsp. haussknechtii (Boiss.) Hernst. et Heyn fruits, 2003, retrieved from http://www1.tums.ac.ir/daru/daru2%2020003/Dr%20Sajadi.PDF. [all data]
Bicalho, Pereira, et al., 2000
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Albano, Lima, et al., 2012
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Altintas, Kose, et al., 2004
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Composition of the essential oil of Centaurea dichroa,
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Kirimer, Tabanca, et al., 1999
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Notes
Go To: Top, Gas Chromatography, References
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