4-Hydroxyphenylglyoxylate

HCID 355CAS 15573-67-8
Substructure searchFind similar structures

Basic information

Standard SMILES
O=C(O)C(=O)c1ccc(O)cc1
InChIKey
KXFJZKUFXHWWAJ-UHFFFAOYSA-N
Molecular formula
C8H6O4
Average molar mass
166.13 g/mol
Monoisotopic mass
166.02660867

Overview

4-hydroxyphenylglyoxylic acid is a member of phenols. It is functionally related to a glyoxylic acid. It is a conjugate acid of a 4-hydroxyphenylglyoxylate.

Names & identifiers

Preferred name
4-Hydroxyphenylglyoxylate
IUPAC
2-(4-hydroxyphenyl)-2-oxoacetic acid
English name
4-Hydroxyphenylglyoxylic acid
Molecular formula
C8H6O4
Molecular weight
166.13

Names & synonyms

4-Hydroxyphenylglyoxylic acid15573-67-84-HydroxyphenylglyoxylatePisolithin A(4-hydroxyphenyl)(oxo)acetic acid4-hydroxybenzoylformatepara-Hydroxybenzoylformic acidCHEBI:28719DTXSID401659602-(4-hydroxyphenyl)-2-oxoacetateCHEBI:58586RefChem:99388
Show more names
Benzeneacetic acid, 4-hydroxy-α-oxo-2-(4-hydroxyphenyl)-2-oxyethylaldehydeacid
DTXCID10884512-(4-hydroxyphenyl)-2-oxoacetic acid4-HydroxyphenylglyoxylicacidMFCD13192798Benzeneacetic acid, 4-hydroxy-alpha-oxo-CHEMBL1299184-Hydroxy-a-oxo-benzeneacetic acid2-(4-hydroxyphenyl)-2-oxo-acetic acid

Database identifiers

CAS
15573-67-8
PubChem CID
355
DTXSID
DTXSID40165960
ChEMBL
CHEMBL129918
ChEBI
CHEBI:28719
EC Number
842-891-6
Nikkaji
J410.258D

Properties

Computed structural properties

XLogP
1
Topological polar surface area
74.6 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
12

Physicochemical properties

storage temp.
Sealed in dry,Room Temperature
solubility
20 mg/mlDMSO: · DMF: 20 mg/mlDMSO: 20 mg/mlEthanol: 10 mg/mlPBS (pH 7.2): 10 mg/ml
form
Solid
color
Off-white to light brown
Symbol(GHS)
7 · GHS07
Signal word
Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (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 information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335-H302
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

Uses2-(4-Hydroxyphenyl)-2-oxoacetic acid (cas# 15573-67-8) is a useful research chemical, a metabolite of Bisphenol A.

Upstream & downstream products

Downstream products

Suppliers35 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]

Additional notes

DefinitionChEBI: 4-hydroxyphenylglyoxylic acid is a member of phenols. It is functionally related to a glyoxylic acid. It is a conjugate acid of a 4-hydroxyphenylglyoxylate.

Related reactions

2 records
New reaction record

Linked notes

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