2-Hydroxyphenylacetic acid
- CAS NO.：614-75-5
- Empirical Formula: C8H8O3
- Molecular Weight: 152.15
- MDL number: MFCD00004323
- EINECS: 210-393-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-11-20 15:18:15
What is 2-Hydroxyphenylacetic acid?
Chemical properties
Off-White Solid
The Uses of 2-Hydroxyphenylacetic acid
2-Hydroxyphenylacetic Acid is an intermediate in the synthesis of atenolol and 3,4-dihydroxyphenylacetic acid.
What are the applications of Application
2-Hydroxyphenylacetic Acid is an intermediate in the synthesis of atenolol and 3,4-dihydroxyphenylacetic acid
Definition
ChEBI: A hydroxy monocarboxylic acid that is acetic acid in which one of the methyl hydrogens is substituted by a 2-hydroxyphenyl group. It is a metabolite of phenylalanine and is excreted in the urine of patients suffering from diseases like phenylketonuria.
Purification Methods
Crystallise the acid from ether or chloroform (m 147o, m from latter solvent is always lower). [Beilstein 10 H 187, 10 I 81, 10 II 112, 10 III 422, 10 IV 536.]
Properties of 2-Hydroxyphenylacetic acid
| Melting point: | 145-147 °C (lit.) |
| Boiling point: | 240°C (estimate) |
| Density | 1.2143 (rough estimate) |
| refractive index | 1.4945 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Methanol, Water |
| pka | 4.17±0.10(Predicted) |
| form | Crystalline Powder |
| color | Light pink to light brown |
| Water Solubility | Soluble in Methanol and Water. |
| BRN | 908000 |
| InChI | InChI=1S/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11) |
| CAS DataBase Reference | 614-75-5(CAS DataBase Reference) |
| NIST Chemistry Reference | Benzeneacetic acid, 2-hydroxy-(614-75-5) |
| EPA Substance Registry System | 2-Hydroxyphenylacetic acid (614-75-5) |
Safety information for 2-Hydroxyphenylacetic acid
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2-Hydroxyphenylacetic acid
| InChIKey | CCVYRRGZDBSHFU-UHFFFAOYSA-N |
| SMILES | C1(CC(O)=O)=CC=CC=C1O |
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product: 2-Hydroxyphenylacetic acid
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