2-(4-hydroxyphenyl)acetic acid

• ChemBase ID: 90303
• Molecular Formular: C8H8O3
• Molecular Mass: 152.14732
• Monoisotopic Mass: 152.04734412
• SMILES: OC(=O)Cc1ccc(cc1)O
• Canonical SMILES: OC(=O)Cc1ccc(cc1)O
• InChI: InChI=1S/C8H8O3/c9-7-3-1-6(2-4-7)5-8(10)11/h1-4,9H,5H2,(H,10,11)
• InChIKey: XQXPVVBIMDBYFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-hydroxyphenyl)acetic acid
• IUPAC Traditional name: 4-hydroxyphenylacetic acid
• Synonyms: p-Hydroxyphenylacetic acid; 4-Hydroxyphenylacetic acid; 2-(4-hydroxyphenyl)acetic acid; 4-Hydroxybenzeneacetic Acid; (4-Hydroxyphenyl)acetic Acid; (p-Hydroxyphenyl)acetic Acid; 2-[4-(Hydroxy)phenyl]acetic Acid; p-Hydroxybenzeneacetic Acid; (4-hydroxyphenyl)acetic acid; 4-(Carboxymethyl)phenol; 4-Hydroxyphenylacetic acid 98%; 4-Hydroxyphenylacetic acid; p-HYDROXYPHENYLACETIC ACID; 4-Hydroxyphenylacetic acid; 4-羟基苯乙酸; 对羟基苯乙酸

Database IDs

• CAS Number: 156-38-7
• EC Number: 205-851-3
• MDL Number: MFCD00004347
• Beilstein Number: 1448766
• PubChem SID: 24895664; 162077124; 24879945
• PubChem CID: 127
• CHEBI ID: 18101
• CHEMBL: 1772
• Chemspider ID: 124
• Wikipedia Title: 4-Hydroxyphenylacetic_acid

CALCULATED PROPERTIES

• Acid pKa: 3.9984367
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.20359497
• LogD (pH = 7.4): -1.8558893
• Log P: 1.3074288
• Molar Refractivity: 39.3465 cm^3
• Polarizability: 15.1498575 Å^3
• Polar Surface Area: 57.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 148-150°C; 148-151 °C; 148-151 °C(lit.); 148-151°C; 149 - 151°C; 149-151°C
• Hydrophobicity(logP): 0.747

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• Storage Warning: Irritant
• RTECS: AI2680000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99%; ≥98.0% (T); 95%; 98%; 99%
• Grade: for fluorescence; purum
• Linear Formula: HOC6H4CH2CO2H
• Classification: Genuine Natural Compounds

DETAILS

MP Biomedicals - 05208583

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02151303

Crystalline
Purity: 99+%
For fluorometric determination of oxidative enzymes.

Sigma Aldrich - H50004

Packaging
25, 100 g in poly bottle
5 g in glass bottle
Application
Reagent used in the acylation of phenols1 and amines.2

Toronto Research Chemicals - H949060

A compound present in olive oil. An important fine chemical intermediate with broad prospects for application development.

REFERENCES

• Shu, Y., et al.: Guangdong Huagong, 37, 108 (2010)
• Papadopoulos, G., et al.: J Am Oil Chem Soc, 68, 669 (2010)