Benzeneacetic acid, 4-hydroxy-
- Formula: C8H8O3
- Molecular weight: 152.1473
- IUPAC Standard InChI: InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
- IUPAC Standard InChIKey: XQXPVVBIMDBYFF-UHFFFAOYSA-N
- CAS Registry Number: 156-38-7
- 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: Acetic acid, (p-hydroxyphenyl)-; (p-Hydroxyphenyl)acetic acid; (4-Hydroxyphenyl)acetic acid; Parahydroxy phenylacetic acid; 4-Hydroxybenzeneacetic acid; 2-(4-Hydroxyphenyl)acetic acid
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Gas phase ion energetics 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: Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
| IE (eV) | Method | Reference |
|---|---|---|
| 8.12 ± 0.02 | EI | Benezra and Bursey, 1972 |
Appearance energy determinations
| Ion | AE (eV) | Other Products | Method | Reference | Comment |
|---|---|---|---|---|---|
| C6H5O2+ | 13.83 ± 0.02 | CH3CO | EI | Benezra and Bursey, 1972 | |
| C6H6O2+ | 9.28 ± 0.02 | CH2=C=O | EI | Benezra and Bursey, 1972 |
Gas Chromatography
Go To: Top, Gas phase ion energetics 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, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1557.8 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB5-30W | 1545. | Schwab and Schreier, 1988 | 30. m/0.25 mm/0.25 μm, He, 5. K/min; Tstart: 60. C; Tend: 300. C |
References
Go To: Top, Gas phase ion energetics data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Benezra and Bursey, 1972
Benezra, S.A.; Bursey, M.M.,
Hydrogen bonding in mass spectral activated complexes. A correction,
J. Chem. Soc. Perkin Trans. 2, 1972, 11, 1537. [all data]
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Schwab and Schreier, 1988
Schwab, W.; Schreier, P.,
Simultaneous enzyme catalysis extraction: A versatile technique for the study of flavor precursors,
J. Agric. Food Chem., 1988, 36, 6, 1238-1242, https://doi.org/10.1021/jf00084a028
. [all data]
Notes
Go To: Top, Gas phase ion energetics data, Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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