4-Hydroxyphenylglyoxylate

4-Hydroxyphenylglyoxylate · 4-Hydroxyphenylglyoxylic acid · 4-Hydroxy-a-oxo-benzeneacetic acid · Benzeneacetic acid, 4-hydroxy-α-oxo- · 2-(4-hydroxyphenyl)-2-oxyethylaldehydeacid

https://huagongshe.com/en/chemical/355

4-Hydroxyphenylglyoxylate molecular structure

Identifiers & Physical Properties

CAS No.	15573-67-8
Molecular formula	C8H6O4
Average molar mass	166.13 g/mol
Monoisotopic mass	166.02660867 g/mol
SMILES	O=C(O)C(=O)c1ccc(O)cc1
InChIKey	KXFJZKUFXHWWAJ-UHFFFAOYSA-N
PubChem CID	355
ChEMBL	CHEMBL129918
ChEBI	CHEBI:28719
EC No.	842-891-6
DTXSID	DTXSID40165960

Chemical & Physical Properties

XLogP	1
Topological polar surface area	74.6
Hydrogen bond donors	2
Hydrogen bond acceptors	4
Rotatable bonds	2
Heavy atoms	12
Formal charge	0
Complexity	191
Storage conditions	Sealed in dry,Room Temperature
Solubility	DMF: 20 mg/mlDMSO: 20 mg/mlEthanol: 10 mg/mlPBS (pH 7.2): 10 mg/ml
Physical state	Solid
Color	Off-white to light brown
GHS pictogram	GHS07
Signal word	Warning
GHS hazard statements	H315-H319-H335-H302
GHS precautionary statements	P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Safety & Regulations

GHS classification	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)
Signal word	Warning
GHS pictogram	GHS07
GHS hazard statements	H315-H319-H335-H302
GHS precautionary statements	P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Applications & Uses

Uses

2-(4-Hydroxyphenyl)-2-oxoacetic acid (cas# 15573-67-8) is a useful research chemical, a metabolite of Bisphenol A.