CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | Off-white crystalline powder; [Alfa Aesar MSDS] |
|---|---|
| Melting Point | 148 - 150 °C |
| Solubility | 60.7 mg/mL |
| Vapor Pressure | 0.0000555 [mmHg] |
| LogP | 0.75 |
| Collision Cross Section | 126.65 Ų [M-H]- [CCS Type: DT, Method: single field calibrated with Agilent tune mix (Agilent)] |
| Kovats Retention Index | 1557.8 1545 |
| Chemical Classes | Other Classes -> Other Aromatic Compounds |
SAFETY INFORMATION
| 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. 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
| Molecular Weight | 152.15 g/mol |
|---|---|
| XLogP3 | 0.8 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 2 |
| Exact Mass | 152.047344113 g/mol |
| Monoisotopic Mass | 152.047344113 g/mol |
| Topological Polar Surface Area | 57.5 Ų |
| Heavy Atom Count | 11 |
| Formal Charge | 0 |
| Complexity | 136 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-Hydroxyphenylacetic acid (4-HPAA) is a major microbial metabolite of polyphenols. 4-HPAA can be esterified with various alcohols to synthesise esters, and is also used as a reagent for the acylation of phenols and amines. In experimental studies, 4-HPAA was found to induce the expression of Nrf2.