2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester
- Formula: C10H10O3
- Molecular weight: 178.1846
- IUPAC Standard InChI: InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3/b7-4+
- IUPAC Standard InChIKey: NITWSHWHQAQBAW-QPJJXVBHSA-N
- CAS Registry Number: 3943-97-3
- 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. - Other names: Cinnamic acid, p-hydroxy-, methyl ester; p-Hydroxycinnamic acid methyl ester; Methyl p-coumarate; Methyl p-hydroxycinnamate; Methyl 4-hydroxycinnamate; 4-Hydroxycinnamic acid methyl ester; p-Coumaric acid methyl ester; Methyl 4-coumarate; Methyl ester of p-hydroxycinnamic acid; NSC 154578; Methyl (2E)-3-(4-hydroxyphenyl)-2-propenoate
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Phase change data
Go To: Top, Gas Chromatography, 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: William E. Acree, Jr., James S. Chickos
Enthalpy of fusion
| ΔfusH (kcal/mol) | Temperature (K) | Method | Reference |
|---|---|---|---|
| 7.223 | 410.7 | DSC | Panteli, Saratsioti, et al., 2010 |
Gas Chromatography
Go To: Top, Phase change data, 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 |
|---|---|---|---|---|
| Packed | SE-30 | 1698. | van den Dool and Kratz, 1963 | Celite; Tstart: 75. C; Tend: 228. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | VF-5MS | 1688. | Tret'yakov, 2008 | 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 | Ultra 2 | 1673. | Byun and Shin, 2008 | 50. m/0.20 mm/0.11 μm, Helium, 60. C @ 5. min, 2. K/min, 230. C @ 30. min |
References
Go To: Top, Phase change data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Panteli, Saratsioti, et al., 2010
Panteli, Eleni; Saratsioti, Panagiota; Stamatis, Haralampos; Voutsas, Epaminondas,
Solubilities of Cinnamic Acid Esters in Organic Solvents,
J. Chem. Eng. Data, 2010, 55, 2, 745-749, https://doi.org/10.1021/je9004382
. [all data]
van den Dool and Kratz, 1963
van den Dool, H.; Kratz, P. Dec.,
A generalization of the retention index system including linear temperature programmed gas-liquid partition chromatography,
J. Chromatogr., 1963, 11, 463-471, https://doi.org/10.1016/S0021-9673(01)80947-X
. [all data]
Tret'yakov, 2008
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2008. [all data]
Byun and Shin, 2008
Byun, Y.; Shin, S.,
Analysis of compounds and activity of essential oil from Chrysanthemum zawadskii var. latilobum and C. indicum agaunst antibiotic-resistant pathogenic bacteria,
Nat. Prod. Sci., 2008, 14, 2, 138-142. [all data]
Notes
Go To: Top, Phase change data, Gas Chromatography, References
- Symbols used in this document:
ΔfusH Enthalpy of fusion - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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