Methyl tiglate
- Formula: C6H10O2
- Molecular weight: 114.1424
- IUPAC Standard InChI: InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4-
- IUPAC Standard InChIKey: YYJWBYNQJLBIGS-PLNGDYQASA-N
- CAS Registry Number: 6622-76-0
- 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: Tiglic acid methyl ester; 2-Butenoic acid, 2-methyl-, methyl ester, (E)-; Crotonic acid, 2-methyl-, methyl ester, (E)-; Methyl (E)-2-methylcrotonate; Methyl trans-2-methyl-2-butenoate; 2-Carbomethoxy-2-butene, (E)-; Methyl α-methylcrotonate, trans-; Methyl trans-2-methylcrotonate; Methyl (2E)-2-methyl-2-butenoate; 2-Methylcrotonic acid, methyl ester, (E)-; Methyl (E)-2-methyl-2-butenoate; trans-2,3-Dimethylacrylic acid, methyl ester; NSC 55277; 2-Butenoic acid, 2-methyl-, methyl ester, (2E)-; Methyl α-methylcrotonate; 2-Methylerotonic acid (Tiglicacid), methyl ester; methyl 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
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-1 | 855. | Jenett-Siems, Schimming, et al., 1998 | Program: not specified |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 875.7 | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1190. | Suárez and Duque, 1992 | 25. m/0.31 mm/0.3 μm, 2. K/min; Tstart: 50. C; Tend: 200. C |
| Capillary | Carbowax 20M | 1190. | Suárez and Duque, 1991 | 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C |
| Capillary | Carbowax 20M | 1195. | Suárez and Duque, 1991 | 2. K/min; Column length: 25. m; Column diameter: 0.31 mm; Tstart: 50. C; Tend: 200. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 868. | Isidorov and Jdanova, 2002 | 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | SLB-5 MS | 860. | 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 | 863. | Costa, De Fina, et al., 2008 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | SE-30 | 850. | Vinogradov, 2004 | Program: not specified |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Carbowax 20M | 1188. | 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.
Jenett-Siems, Schimming, et al., 1998
Jenett-Siems, K.; Schimming, T.; Kaloga, M.; Eich, E.; Siems, K.; Gupta, M.P.; Witte, L.; Hartmann, T.,
Pyrrolizidine alkaloids of Ipomoea hederifolia and related species,
Phytochemistry, 1998, 47, 8, 1551-1560, https://doi.org/10.1016/S0031-9422(97)01082-0
. [all data]
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Suárez and Duque, 1992
Suárez, M.; Duque, C.,
Change in volatile compounds during lulo (Solanum vestissimum D.) fruit maturation,
J. Agric. Food Chem., 1992, 40, 4, 647-649, https://doi.org/10.1021/jf00016a025
. [all data]
Suárez and Duque, 1991
Suárez, M.; Duque, C.,
Volatile constituents of lulo (Salanum vestissimum D.) fruit,
J. Agric. Food Chem., 1991, 39, 8, 1498-1500, https://doi.org/10.1021/jf00008a026
. [all data]
Isidorov and Jdanova, 2002
Isidorov, V.; Jdanova, M.,
Volatile organic compounds from leaves litter,
Chemosphere, 2002, 48, 9, 975-979, https://doi.org/10.1016/S0045-6535(02)00074-7
. [all data]
Costa, De Fina, et al., 2008
Costa, R.; De Fina, M.R.; Valentino, M.R.; Rustaiyan, A.; Dugo, P.; Dugo, G.; Mondello, L.,
An investigation on the volatile composition of some Artemisia species from Iran,
Flavour Fragr. J., 2008, 24, 2, 75-82, https://doi.org/10.1002/ffj.1919
. [all data]
Vinogradov, 2004
Vinogradov, B.A.,
Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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