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, Mass spectrum (electron ionization), 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 |
Mass spectrum (electron ionization)
Go To: Top, Phase change data, 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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| NIST MS number | 352472 |
Gas Chromatography
Go To: Top, Phase change data, Mass spectrum (electron ionization), 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, Mass spectrum (electron ionization), 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, Mass spectrum (electron ionization), 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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