4-Hydroxyphenylglyoxal

HCID 90568

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Basic information

CAS: 24645-80-5
Standard SMILES: O=CC(=O)c1ccc(O)cc1
InChIKey: MTMONFVFAYLRSG-UHFFFAOYSA-N
Molecular formula: C8H6O3
Average molar mass: 150.13 g/mol
Monoisotopic mass: 150.03169405

Overview

used to determine available arginine residues in proteins

Names & identifiers

Preferred name: 4-Hydroxyphenylglyoxal
IUPAC: 2-(4-hydroxyphenyl)-2-oxoacetaldehyde
English name: p-Hydroxyphenylglyoxal monohydrate
Molecular formula: C8H6O3
Molecular weight: 150.13

Names & synonyms

24645-80-5(p-Hydroxyphenyl)glyoxal4-HydroxyphenylglyoxalGlyoxal, (p-hydroxyphenyl)-para-HydroxyphenylglyoxalAPL7XFW2OPNSC-145743RefChem:701924-HYDROXYPHENYL GLYOXAL2-(4-hydroxyphenyl)-2-oxoacetaldehydep-hydroxyphenylglyoxalHPG Protein Modifier

Show more names

Benzeneacetaldehyde, 4-hydroxy-α-oxo-4-Hydroxy-alpha-oxobenzeneacetaldehyde

Benzeneacetaldehyde, 4-hydroxy-.alpha.-oxo-(4-Hydroxyphenyl)glyoxalBenzeneacetaldehyde, 4-hydroxy-alpha-oxo-4-Hydroxyphenyl glyoxal anhydrousMFCD000549842-(4-Hydroxyphenyl)-2-oxo-acetaldehydebenzeneacetaldehyde, 4-hydroxy-alpha-oxo-, hydrateGlyoxal, hydrate

Database identifiers

CAS: 24645-80-5
PubChem CID: 90568
DTXSID: DTXSID1073444
UNII: APL7XFW2OP
Nikkaji: J401.597E

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 54.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 157

Physicochemical properties

Melting point: 88 °C · 88 °C
Boiling point: 75 · 75-80 °C(Press: 35 Torr)
Density: 1.286 · 1.286±0.06 g/cm3(Predicted)
storage temp.: -20 °C · Inert atmosphere,Store in freezer, under -20°C
pka: 6.3 · 6.30±0.15(Predicted)
FDA UNII: 7 XFW2OP · APL7XFW2OP
EPA Substance Registry System: 4 · Benzeneacetaldehyde, 4-hydroxy-.alpha.-oxo- (24645-80-5)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
HS Code: 29124990 · 29124990

Safety & regulation

Safety data

hs_code: 29124990
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501