4-Hydroxyphenylacetone

HCID 7019274

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 770-39-8
Standard SMILES: CC(=O)Cc1ccc(O)cc1
InChIKey: VWMVAQHMFFZQGD-UHFFFAOYSA-N
Molecular formula: C9H10O2
Average molar mass: 150.17 g/mol
Monoisotopic mass: 150.06807956

Overview

4-Hydroxyphenylacetone has been reported in Sargentodoxa cuneata with data available.

Names & identifiers

Preferred name: 4-Hydroxyphenylacetone
IUPAC: 1-(4-hydroxyphenyl)propan-2-one
English name: 4-Hydroxyphenylacetone
Molecular formula: C9H10O2
Molecular weight: 150.17

Names & synonyms

4-Hydroxyphenylacetone770-39-8DTXSID40427095RefChem:524063DTXCID80377929616-432-31-(4-hydroxyphenyl)propan-2-one1-(4-hydroxyphenyl)acetone1-(4-Hydroxyphenyl)-2-propanoneMFCD002104392-Propanone, 1-(4-hydroxyphenyl)-4-Acetonylphenol

Show more names

4-Hydroxyphenylacetone>1-(4-hydroxyphenyl)acetone4-HYDROXYPHENYLACETONE +99%4-Hydroxyphenylacetone, 98+%4-Hydroxyphenylacetone USP/EP/BP4-Hydroxyphenylacetone≥ 99% (GC)

p-hydroxyphenylacetone4-hydroxyphenyl acetone4-Hydroxybenzyl methyl ketone7K79N2OO7FCHEMBL10905531-(p-Hydroxyphenyl)-2-propanone(4-hydroxyphenyl)acetone4-hydroxyphenylpropanone

Database identifiers

CAS: 770-39-8
PubChem CID: 7019274
DTXSID: DTXSID40427095
ChEMBL: CHEMBL1090553
UNII: 7K79N2OO7F
EC Number: 616-432-3
Nikkaji: J515.592D

Properties

Computed structural properties

XLogP: 0.8
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 134

Physicochemical properties

Melting point: 267 °C · 267°C
Boiling point: 177 °C · 177 °C / 11mmHg
Density: 1.12 · 1.12
storage temp.: 2 · 2-8°C
solubility: soluble in Methanol
form: powder to lump to clear liquid
pka: 9.86 · 9.86±0.15(Predicted)
color: White or Colorless to Yellow to Orange
CAS DataBase Reference: 770 · 770-39-8(CAS DataBase Reference)
FDA UNII: 7 K79N2OO7F · 7K79N2OO7F
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36-37
HS Code: 29141900 · 29141900

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.