2-Propenoic acid, 3-(3,4-dimethoxyphenyl)-, methyl ester
- Formula: C12H14O4
- Molecular weight: 222.2372
- IUPAC Standard InChI: InChI=1S/C12H14O4/c1-14-10-6-4-9(8-11(10)15-2)5-7-12(13)16-3/h4-8H,1-3H3/b7-5+
- IUPAC Standard InChIKey: JXRYDOZRPYFBKO-FNORWQNLSA-N
- CAS Registry Number: 5396-64-5
- 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: Cinnamic acid, 3,4-dimethoxy-, methyl ester; Methyl 3,4-dimethoxycinnamate; 3,4-O-Dimethylcaffeic acid methyl ester; Methyl ester of 3,4-Dimethoxycinnamic acid; 3,4-Dimethoxy-trans-cinnamic acid,methyl ester; Methyl 3-(3,4-dimethoxyphenyl)-2-propenoate; Methyl 3-(3,4-dimethoxyphenyl)acrylate; Methyl 3-(3,4-dimethoxyphenyl)-prop-2-enoate; 3,4-Dimethoxy methyl cinnamate
- Information on this page:
- Other data available:
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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 | PE-5 | 1873. | Isidorov and Vinogorova, 2003 | He, 5. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 50. C; Tend: 250. C |
| Capillary | PE-5 | 1873. | Isidorov and Vinogorova, 2003 | He, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; Tstart: 40. C; Tend: 280. C |
| Capillary | BP-1 | 1825. | Tan, Wilkins, et al., 1989 | H2, 40. C @ 2. min, 4. K/min, 240. C @ 75. min; Column length: 12. m |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1895.3 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 1834. | Spiteller and Spiteller, 1979 | He, 75. C @ 7. min, 2. K/min; Column length: 25. m; Tend: 280. C |
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.
Isidorov and Vinogorova, 2003
Isidorov, V.A.; Vinogorova, V.T.,
GC-MS analysis of compounds extracted from buds of Populus balsamifera and Populus nigra,
Z. Naturforsch. C:, 2003, 58, 355-360. [all data]
Tan, Wilkins, et al., 1989
Tan, S.T.; Wilkins, A.L.; Holland, P.T.; McGhie, T.K.,
Extractives from New Zealand unifloral honeys. 2. Degraded carotenoids and other substances from heather honey,
J. Agric. Food Chem., 1989, 37, 5, 1217-1221, https://doi.org/10.1021/jf00089a004
. [all data]
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [all data]
Spiteller and Spiteller, 1979
Spiteller, M.; Spiteller, G.,
Trennung und charakterisierung saurer harnbest and- teile,
J. Chromatogr., 1979, 164, 3, 253-317, https://doi.org/10.1016/S0378-4347(00)81232-3
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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