n-Butyl tiglate
- Formula: C9H16O2
- Molecular weight: 156.2221
- IUPAC Standard InChI: InChI=1S/C9H16O2/c1-4-6-7-11-9(10)8(3)5-2/h5H,4,6-7H2,1-3H3/b8-5+
- IUPAC Standard InChIKey: RBGFLIOXJWFKKX-VMPITWQZSA-N
- CAS Registry Number: 7785-66-2
- 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: 2-Butenoic acid, 2-methyl-, butyl ester, (E)-; Butyl tiglate; Butyl α-methylcrotonate; Tiglic acid n-butyl ester; Butyl (E)-2-methylbut-2-enoate; Butyl 2-methyl-2-butenoate; butyl 2-methylcrotonate
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Gas Chromatography
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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 | 1134. | Liang, 2010 | 30. m/0.25 mm/0.25 μm, He; Tstart: 60. C; Tend: 270. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Ultra-2 | 1134. | Ceva-Antunes, Bizzo, et al., 2006 | 25. m/0.25 mm/0.33 μm, H2, 40. C @ 2. min, 3. K/min, 280. C @ 10. min |
| Capillary | HP-5 | 1136. | 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 | SE-30 | 1116. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Stabilwax | 1417. | Jirovetz, Buchbauer, et al., 2005 | 30. m/0.32 mm/0.5 μm, 40. C @ 5. min, 6. K/min, 280. C @ 5. min |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1419. | Vinogradov, 2004 | Program: not specified |
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]
Ceva-Antunes, Bizzo, et al., 2006
Ceva-Antunes, P.M.N.; Bizzo, H.R.; Silva, A.S.; Carvalho, C.P.S.; Antunes, O.A.C.,
Analysis of volatile composition of siriguela (Spondias purpurea L.) by solid phase microextraction (SPME),
LWT, 2006, 39, 4, 437-443, https://doi.org/10.1016/j.lwt.2005.02.007
. [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]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Jirovetz, Buchbauer, et al., 2005
Jirovetz, L.; Buchbauer, G.; Stoyanova, A.; Balinova, A.; Guangjiun, Z.; Xihan, M.,
Solid phase microextraction/gas chromatographic and olfactory analysis of the scent and fixative properties of the essential oil of Rosa damascena L. from China,
Flavour Fragr. J., 2005, 20, 1, 7-12, https://doi.org/10.1002/ffj.1375
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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