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Record Information |
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| Version |
1.0 |
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| Update Date |
1/22/2018 11:54:54 AM |
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Metabolite ID | PAMDB120385 |
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Identification |
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| Name: |
2-hydroxyphenylacetate |
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| Description: | The monocarboxylic acid anion formed from (2-hydroxyphenyl)acetic acid by loss of a proton from the carboxy group; major microspecies at pH 7.3. |
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Structure |
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| Synonyms: | - (2-hydroxyphenyl)acetate
- 2-hydroxybenzeneacetic acid (1−)
- 2-hydroxyphenylacetate
- o-hydroxyphenylacetate
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Chemical Formula: |
C8H7O3 |
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| Average Molecular Weight: |
151.141 |
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| Monoisotopic Molecular
Weight: |
152.04735 |
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| InChI Key: |
CCVYRRGZDBSHFU-UHFFFAOYSA-M |
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| InChI: | InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11)/p-1 |
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| CAS
number: |
614-75-5 |
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| IUPAC Name: | (2-hydroxyphenyl)acetate |
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Traditional IUPAC Name: |
o-hydroxyphenylacetic acid |
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| SMILES: | C(=O)([O-])CC1(C=CC=CC(O)=1) |
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Chemical Taxonomy |
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Taxonomy Description | This compound belongs to the class of chemical entities known as 2(hydroxyphenyl)acetic acids. These are phenylacetic acids that carry a hydroxyl group at the 2-position. |
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Kingdom |
Chemical entities |
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| Super Class | Organic compounds |
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Class |
Benzenoids |
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| Sub Class | Benzene and substituted derivatives |
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Direct Parent |
2(hydroxyphenyl)acetic acids |
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| Alternative Parents |
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| Substituents |
- 2(hydroxyphenyl)acetic acid
- 1-hydroxy-4-unsubstituted benzenoid
- 1-hydroxy-2-unsubstituted benzenoid
- Phenol
- Monocarboxylic acid or derivatives
- Carboxylic acid
- Carboxylic acid derivative
- Organic oxygen compound
- Organic oxide
- Hydrocarbon derivative
- Organooxygen compound
- Carbonyl group
- Aromatic homomonocyclic compound
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| Molecular Framework |
Aromatic homomonocyclic compounds |
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| External Descriptors |
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Physical Properties |
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| State: |
Liquid |
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| Charge: | -1 |
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Melting point: |
145 - 147 °C |
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| Experimental Properties: |
| Property | Value | Reference |
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| Melting Point | 145 - 147 °C | Not Available | | Boiling Point | Not Available | Not Available | | Water Solubility | 44 mg/mL | Not Available | | LogP | 0.85 | HANSCH,C ET AL. (1995) |
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| Predicted Properties |
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Biological Properties |
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| Cellular Locations: |
Not Available |
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| Reactions: | |
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Pathways: |
Not Available |
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Spectra |
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| Spectra: |
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References |
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| References: |
- Zelnícek E, Podhradská O, Sláma J (1970)[Phenylpyruvate and o-hydroxyphenylacetate in the urine of phenylketonurics treated by dietary measures] Zeitschrift fur Kinderheilkunde 108, Pubmed: 5475034
- Benavides J, Gimenez C, Valdivieso F, Mayor F (1976)Effect of phenylalanine metabolites on the activities of enzymes of ketone-body utilization in brain of suckling rats. The Biochemical journal 160, Pubmed: 12750
- Zelnícek E, Sláma J (1971)Phenylpyruvate and o-hydroxyphenylacetate in phenylketonuric urine. Clinica chimica acta; international journal of clinical chemistry 35, Pubmed: 5125336
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| Synthesis Reference: |
Levine, Joseph; Eble, T. E.; Fischbach, Henry. Preparation of o-hydroxyphenylacetic acid. Journal of the American Chemical Society (1948), 70 1930. |
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| Material Safety Data Sheet (MSDS) |
Not Available |
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Links |
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| External Links: |
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