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:
- Options:
Normal alkane 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-5 | DB-1-MS | HP-5 MS | HP-5 MS | HP-5 |
| Column length (m) | 30. | 60. | 30. | 30. | 60. |
| Carrier gas | Helium | Helium | Helium | Helium | He |
| Substrate | |||||
| Column diameter (mm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 30. | 50. | 60. | 60. |
| Tend (C) | 240. | 200. | 230. | 250. | 250. |
| Heat rate (K/min) | 3. | 2. | 4. | 2. | 3. |
| Initial hold (min) | 2. | 4. | 4. | 8. | |
| Final hold (min) | 35. | 10. | 15. | ||
| I | 1331. | 1310. | 1330. | 1329. | 1328. |
| Reference | Kahriman, Tosun, et al., 2011 | Takeoka, Hobbs, et al., 2010 | Forero, Quijano, et al., 2008 | Sahraoui, Vian, et al., 2008 | Bertrand, Comte, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-101 | DB-5 | DB-1 | HP-5MS | HP-5 |
| Column length (m) | 25. | 30. | 30. | 30. | 30. |
| Carrier gas | He | Helium | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.2 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 50. | 50. | 60. | 60. |
| Tend (C) | 200. | 250. | 265. | 280. | 280. |
| Heat rate (K/min) | 3. | 3. | 2.5 | 4. | 4. |
| Initial hold (min) | 2. | 5. | 1. | ||
| Final hold (min) | 15. | 20. | |||
| I | 1316. | 1329. | 1306. | 1326. | 1330. |
| Reference | Mastelic, Jerkovic, et al., 2006 | Mirza, Navaei, et al., 2006 | Khanavi, Ghasemian, et al., 2005 | Sadeghpour, Asghari, et al., 2004 | Sajjadi and Mehregan, 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | HP-5 |
| Column length (m) | 30. |
| Carrier gas | H2 |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 40. |
| Tend (C) | 280. |
| Heat rate (K/min) | 3. |
| Initial hold (min) | 10. |
| Final hold (min) | 10. |
| I | 1330. |
| Reference | Bicalho, Pereira, et al., 2000 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
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,
Rec. Nat. Prod., 2011, 5, 2, 82-91. [all data]
Takeoka, Hobbs, et al., 2010
Takeoka, G.R.; Hobbs, C.; Byeoung-Soo, P.,
Volatile constituents of the aerial parts of Salvia apiana Jepson,
J. Essential Oil. Res., 2010, 22, 3, 241-244, https://doi.org/10.1080/10412905.2010.9700314
. [all data]
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,
Flavour Fragr. J., 2008, 24, 1, 25-30, https://doi.org/10.1002/ffj.1913
. [all data]
Sahraoui, Vian, et al., 2008
Sahraoui, N.; Vian, M.A.; Bornard, I.; Boutekedjiret, C.; Chemat, F.,
Improved microwave steam distillation apparatus for isolation of essential oils. Comparison with conventional steam distillation,
J. Chromatogr. A., 2008, 1210, 2, 229-233, https://doi.org/10.1016/j.chroma.2008.09.078
. [all data]
Bertrand, Comte, et al., 2006
Bertrand, C.; Comte, G.; Piola, F.,
Solid-phase microextraction of volatile compounds from flowers of two Brunfelsia species,
Biochem. Syst. Ecol., 2006, 34, 5, 371-375, https://doi.org/10.1016/j.bse.2005.12.005
. [all data]
Mastelic, Jerkovic, et al., 2006
Mastelic, J.; Jerkovic, I.; Mesic, M.,
Volatile constituents from flowers, leaves, bark and wood of Prunus mahaleb L.,
Flavour Fragr. J., 2006, 21, 2, 306-313, https://doi.org/10.1002/ffj.1596
. [all data]
Mirza, Navaei, et al., 2006
Mirza, M.; Navaei, M.N.; Dini, M.,
Volatile constituents of essential oils isolated from flowers and leaves of Eupatorium cannabinum L. from Iran,
Iranian J. Pharmaceutical Res., 2006, 2, 149-152. [all data]
Khanavi, Ghasemian, et al., 2005
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,
Flavour Fragr. J., 2005, 20, 3, 324-326, https://doi.org/10.1002/ffj.1425
. [all data]
Sadeghpour, Asghari, et al., 2004
Sadeghpour, O.; Asghari, G.; Ardekani, M.R.S.,
Composition of essential oil of Artemisia persica Boiss. from Iran,
Iran. J. Pharm. Res., 2004, 3, 65-67. [all data]
Sajjadi and Mehregan, 2003
Sajjadi, S.E.; Mehregan, I.,
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
Bicalho, B.; Pereira, A.S.; Aquino Neto, F.R.; Pinto, A.C.; Rezende, C.M.,
Application of high-temperature gas chromatography-mass spectrometry to the investigation of glycosidically bound components related to cashew applie (Anacardium occidentale L. Var. nanum) volatiles,
J. Agric. Food Chem., 2000, 48, 4, 1167-1174, https://doi.org/10.1021/jf9909252
. [all data]
Notes
Go To: Top, Normal alkane 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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